Compare commits
3 Commits
| Author | SHA1 | Date | |
|---|---|---|---|
 glavic_a
|
c14f216216 | ||
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glavic_a
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a73791a813 | ||
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glavic_a
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d92e071e10 |
@@ -0,0 +1,93 @@
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#!/usr/bin/env python
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from numpy import *
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import mcstas_reader as mr
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l=arange(3,11,0.01)
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lp=(l[1:]+l[:-1])/2.
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t=arange(0.0, 0.18, 0.0001)
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tp=(t[1:]+t[:-1])/2.
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def get_pulses(fn, freq, offset=0.002):
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det=mr.McSim(fn)['tof_detector']
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pulses=[]
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for i in range(int(freq/7)):
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li, Ii=det.project1d('L', bins=l, newcols=[('tc', 't-L*0.00406-%f'%offset)],
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fltr='(tc>%f)&(tc<%f)'%(i*1./freq, (i+1)*1./freq))
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ti, Iti=det.project1d('t', bins=t, newcols=[('tc', 't-L*0.00406-%f'%offset)],
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fltr='(tc>%f)&(tc<%f)'%(i*1./freq, (i+1)*1./freq))
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pulses.append(((li[1:]+li[:-1])/2., Ii, (ti[1:]+ti[:-1])/2., Iti))
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return det, pulses
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def get_filtered_pulses(det, pulses, freq, offset=0.0001, threashold=0.01):
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Is=array([pi[3] for pi in pulses])
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fpulses=[]
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for i in range(1,int(freq/7)-1):
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fltr=(Is[:i].sum(axis=0)+Is[i+1:].sum(axis=0))<(threashold*Is[i])
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tf=tp[fltr]
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if len(tf)<2:
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continue
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li, Ii=det.project1d('L', bins=l, fltr='(t>%f)&(t<%f)'%(tf[0], tf[-1]))
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ti, Iti=det.project1d('t', bins=t, fltr='(t>%f)&(t<%f)'%(tf[0], tf[-1]))
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fpulses.append(((li[1:]+li[:-1])/2., Ii, (ti[1:]+ti[:-1])/2., Iti))
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return fpulses
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def calc_usable(pulses, threashold=0.01):
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Is=array([pi[3] for pi in pulses])
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sI=0.
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for i in range(1,Is.shape[0]):
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sI+=Is[i][(Is[:i].sum(axis=0)+Is[i+1:].sum(axis=0))<(threashold*Is[i])].sum()
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return sI
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def calc_sum(pulses):
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Is=array([pi[3] for pi in pulses])
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return Is.sum(axis=0)
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def tof_plot(det, pulses):
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figure(figsize=(18,10))
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for i, pi in enumerate(pulses):
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semilogy(tp, pi[3], label='%i'%i)
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ylim(100,1e5)
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def tof_th_plot(det, pulses, threashold=0.01):
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figure(figsize=(18,10))
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Is=array([pi[3] for pi in pulses])
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for i, pi in enumerate(pulses):
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fltr=(Is[:i].sum(axis=0)+Is[i+1:].sum(axis=0))<(threashold*Is[i])
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semilogy(tp[fltr], pi[3][fltr], label='%i'%i)
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ylim(100,1e5)
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def lambda_plot(det, pulses):
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figure(figsize=(18,10))
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for i, pi in enumerate(pulses):
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semilogy(lp, pi[1])
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semilogy(lp, det.project1d('L', bins=l)[1])
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semilogy(lp, Ir)
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ylim(100,1e6)
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xlim(3,11)
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def export(fn, pulses):
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It=calc_sum(pulses)
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savetxt(fn+'_lpulses.dat', array([pules[0][0], It, Ir]+[pi[1] for pi in pulses]).T)
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savetxt(fn+'_tpulses.dat', array([pules[0][2]]+[pi[3] for pi in pulses]).T)
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ref=mr.McSim('../results/ersa_ref/')['tof_detector']
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Ir=ref.project1d('L', bins=l)[1]
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freq_offsets={245: 0.00007, 280: 0.002, 308: 0.0015, 350: 0.003}
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rfreq_offsets={245: 0.0000, 280: 0.0002, 308: 0.0015, 350: 0.0007}
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results={}
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for key,val in freq_offsets.items():
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results['%i'%key]=get_pulses('../results/ersa_%iHz/'%key, 2.*key, val)
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try:
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results['r300-%i'%key]=get_pulses('../results/ersa_r300_%iHz/'%key, 2.*key, val)
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except:
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continue
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for key,val in rfreq_offsets.items():
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results['rev-%i'%key]=get_pulses('../results/ersa_reverse_%iHz/'%key, 2.*key, val)
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@@ -52,8 +52,9 @@ DEFINE INSTRUMENT ESS_reflectometer_Estia
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(double omegaa = 1.2, int sample = 0, double sample_length = 0.01, double sample_height = 0.01,
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int operationmode = 0, double over_illumination = 0.0, double theta_resolution = 0.04,
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double lambda_min = 3.75, double lambda_start = 3.0, double lambda_end = 12.0,
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int enable_chopper = 0, int enable_gravity=0, int enable_windows=1,
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int enable_polarizer = 0, int enable_analyzer = 0,
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int enable_chopper = 0, int enable_gravity=0, int enable_windows=1,
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double wfm_freq=0.0, double wfm_shift=0.0, double wfm_radius=0.15,
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int enable_polarizer = 0, int enable_analyzer = 0,
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double source_power = 2,
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double selene1_foot1y =0.0, double selene1_foot2y = 0.0
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)
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@@ -330,32 +331,6 @@ COMPONENT si_sample = Mirror(
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AT (0, 0, 0) RELATIVE arm_sample
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ROTATED (0, 90, 0) RELATIVE arm_sample
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/* Asymmetric lipid bilayer */
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COMPONENT lipid_h20_sample = Mirror(
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xwidth = sample_length, yheight = sample_height,
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center = 1, transmit = 0,
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reflect = "lipid_h2o.ref"
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)
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WHEN sample==4
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AT (0, 0, 0) RELATIVE arm_sample
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ROTATED (0, 90, 0) RELATIVE arm_sample
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COMPONENT lipid_d20_sample = Mirror(
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xwidth = sample_length, yheight = sample_height,
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center = 1, transmit = 0,
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reflect = "lipid_d2o.ref"
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)
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WHEN sample==5
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AT (0, 0, 0) RELATIVE arm_sample
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ROTATED (0, 90, 0) RELATIVE arm_sample
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COMPONENT lipid_smw_sample = Mirror(
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xwidth = sample_length, yheight = sample_height,
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center = 1, transmit = 0,
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reflect = "lipid_smw.ref"
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)
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WHEN sample==6
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AT (0, 0, 0) RELATIVE arm_sample
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ROTATED (0, 90, 0) RELATIVE arm_sample
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COMPONENT arm_analyzer = Arm()
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AT (0, 0, 0) RELATIVE arm_detector
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@@ -63,6 +63,10 @@ REMOVABLE COMPONENT source = Moderator(radius = 0.001, focus_xw = selene_entry+0
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AT (0,0,0) RELATIVE ISCS
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ROTATED (-1.25, 1.25, 0) RELATIVE ISCS
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COMPONENT arm_ersa = Arm()
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AT (0, 0, 0) RELATIVE arm_selene2
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ROTATED (0, -selene_theta, 0) RELATIVE arm_selene2
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/**************************************
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* Middle focus between Selene guides *
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@@ -78,6 +82,78 @@ COMPONENT polarizer1 = Polariser(nIncRefr=1, d_substrate = 5e-4, reflect_d=0, re
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ROTATED (0,0,90.0) RELATIVE arm_polarizer
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COMPONENT ersa_01 = DiskChopper(radius=wfm_radius, yheight=0.05,
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theta_0=120, phase=60+wfm_shift*180,
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nu=wfm_freq, nslit=2)
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WHEN wfm_freq>0
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AT (0, 0, -0.08) RELATIVE arm_ersa
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COMPONENT ersa_02 = DiskChopper(radius=wfm_radius, yheight=0.05,
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theta_0=120, phase=75+wfm_shift*180,
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nu=wfm_freq, nslit=2)
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WHEN wfm_freq>0
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AT (0, 0, -0.07) RELATIVE arm_ersa
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COMPONENT ersa_03 = DiskChopper(radius=wfm_radius, yheight=0.05,
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theta_0=120, phase=90+wfm_shift*180,
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nu=wfm_freq, nslit=2)
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WHEN wfm_freq>0
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AT (0, 0, -0.06) RELATIVE arm_ersa
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COMPONENT ersa_04 = DiskChopper(radius=wfm_radius, yheight=0.05,
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theta_0=120, phase=105+wfm_shift*180,
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nu=wfm_freq, nslit=2)
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WHEN wfm_freq>0
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AT (0, 0, -0.05) RELATIVE arm_ersa
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COMPONENT ersa_05 = DiskChopper(radius=wfm_radius, yheight=0.05,
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theta_0=120, phase=120+wfm_shift*180,
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nu=wfm_freq, nslit=2)
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WHEN wfm_freq>0
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AT (0, 0, -0.04) RELATIVE arm_ersa
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COMPONENT ersa_05b = DiskChopper(radius=wfm_radius, yheight=0.05,
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theta_0=45, phase=-22.5+wfm_shift*180,
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nu=wfm_freq, nslit=2)
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WHEN wfm_freq<0
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AT (0, 0, -0.04) RELATIVE arm_ersa
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COMPONENT ersa_11b = DiskChopper(radius=wfm_radius, yheight=0.05,
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theta_0=45, phase=22.5+wfm_shift*180,
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nu=wfm_freq, nslit=2)
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WHEN wfm_freq<0
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AT (0, 0, 0.04) RELATIVE arm_ersa
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COMPONENT ersa_11 = DiskChopper(radius=wfm_radius, yheight=0.05,
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theta_0=120, phase=120+wfm_shift*180,
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nu=wfm_freq, nslit=2)
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WHEN wfm_freq>0
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AT (0, 0, 0.04) RELATIVE arm_ersa
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COMPONENT ersa_12 = DiskChopper(radius=wfm_radius, yheight=0.05,
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theta_0=120, phase=135+wfm_shift*180,
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nu=wfm_freq, nslit=2)
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WHEN wfm_freq>0
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AT (0, 0, 0.05) RELATIVE arm_ersa
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COMPONENT ersa_13 = DiskChopper(radius=wfm_radius, yheight=0.05,
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theta_0=120, phase=150+wfm_shift*180,
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nu=wfm_freq, nslit=2)
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WHEN wfm_freq>0
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AT (0, 0, 0.06) RELATIVE arm_ersa
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COMPONENT ersa_14 = DiskChopper(radius=wfm_radius, yheight=0.05,
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theta_0=120, phase=165+wfm_shift*180,
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nu=wfm_freq, nslit=2)
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WHEN wfm_freq>0
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AT (0, 0, 0.07) RELATIVE arm_ersa
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COMPONENT ersa_15 = DiskChopper(radius=wfm_radius, yheight=0.05,
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theta_0=120, phase=180+wfm_shift*180,
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nu=wfm_freq, nslit=2)
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WHEN wfm_freq>0
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AT (0, 0, 0.08) RELATIVE arm_ersa
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/* The proximal polariser comes next */
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COMPONENT polarizer2 = Polariser(nIncRefr=1, d_substrate = 5e-4, reflect_d=0, reflect_u=0, lin=polarizer_start, length=polarizer_length,
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delta_theta=(Theta1_polarizer+Theta2_polarizer)*PI/180.0, h2=0.1, h1=0.05, abs_ref=1, m_u=4.0, m_d=0.65, both_coated=1, alpha=2.3, W = 0.0014)
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File diff suppressed because it is too large
Load Diff
File diff suppressed because it is too large
Load Diff
@@ -1,102 +0,0 @@
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0.00 1.000
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0.01 0.0099682
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0.0149 0.0042479
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0.0198 0.0022557
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0.0247 0.0013447
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0.0296 0.00086176
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0.0345 0.000582
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0.0394 0.0004107
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0.0443 0.00030205
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0.0492 0.00023151
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0.0541 0.0001849
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0.059 0.00015356
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0.0639 0.00013197
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0.0688 0.00011657
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0.0737 0.00010502
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0.0786 9.58E-05
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0.0835 8.80E-05
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0.0884 8.11E-05
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0.0933 7.47E-05
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||||
0.0982 6.88E-05
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||||
0.1031 6.33E-05
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||||
0.108 5.82E-05
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||||
0.1129 5.35E-05
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||||
0.1178 4.94E-05
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||||
0.1227 4.57E-05
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||||
0.1276 4.24E-05
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||||
0.1325 3.96E-05
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||||
0.1374 3.71E-05
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||||
0.1423 3.48E-05
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||||
0.1472 3.27E-05
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||||
0.1521 3.08E-05
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||||
0.157 2.89E-05
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||||
0.1619 2.71E-05
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||||
0.1668 2.53E-05
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||||
0.1717 2.35E-05
|
||||
0.1766 2.17E-05
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||||
0.1815 2.00E-05
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||||
0.1864 1.83E-05
|
||||
0.1913 1.66E-05
|
||||
0.1962 1.51E-05
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||||
0.2011 1.36E-05
|
||||
0.206 1.22E-05
|
||||
0.2109 1.08E-05
|
||||
0.2158 9.61E-06
|
||||
0.2207 8.46E-06
|
||||
0.2256 7.39E-06
|
||||
0.2305 6.39E-06
|
||||
0.2354 5.46E-06
|
||||
0.2403 4.61E-06
|
||||
0.2452 3.84E-06
|
||||
0.2501 3.16E-06
|
||||
0.255 2.55E-06
|
||||
0.2599 2.04E-06
|
||||
0.2648 1.61E-06
|
||||
0.2697 1.26E-06
|
||||
0.2746 9.93E-07
|
||||
0.2795 7.98E-07
|
||||
0.2844 6.64E-07
|
||||
0.2893 5.82E-07
|
||||
0.2942 5.39E-07
|
||||
0.2991 5.24E-07
|
||||
0.304 5.28E-07
|
||||
0.3089 5.41E-07
|
||||
0.3138 5.58E-07
|
||||
0.3187 5.73E-07
|
||||
0.3236 5.83E-07
|
||||
0.3285 5.88E-07
|
||||
0.3334 5.88E-07
|
||||
0.3383 5.84E-07
|
||||
0.3432 5.77E-07
|
||||
0.3481 5.69E-07
|
||||
0.353 5.62E-07
|
||||
0.3579 5.57E-07
|
||||
0.3628 5.53E-07
|
||||
0.3677 5.52E-07
|
||||
0.3726 5.53E-07
|
||||
0.3775 5.56E-07
|
||||
0.3824 5.61E-07
|
||||
0.3873 5.67E-07
|
||||
0.3922 5.74E-07
|
||||
0.3971 5.81E-07
|
||||
0.402 5.89E-07
|
||||
0.4069 5.96E-07
|
||||
0.4118 6.04E-07
|
||||
0.4167 6.12E-07
|
||||
0.4216 6.19E-07
|
||||
0.4265 6.27E-07
|
||||
0.4314 6.35E-07
|
||||
0.4363 6.43E-07
|
||||
0.4412 6.50E-07
|
||||
0.4461 6.58E-07
|
||||
0.451 6.66E-07
|
||||
0.4559 6.74E-07
|
||||
0.4608 6.82E-07
|
||||
0.4657 6.89E-07
|
||||
0.4706 6.97E-07
|
||||
0.4755 7.04E-07
|
||||
0.4804 7.11E-07
|
||||
0.4853 7.16E-07
|
||||
0.4902 7.20E-07
|
||||
0.4951 7.21E-07
|
||||
0.5 7.23E-07
|
||||
@@ -1,251 +0,0 @@
|
||||
#!/bin/tcsh
|
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#SBATCH -J mcEstia
|
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#SBATCH -N 6
|
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#SBATCH --ntasks-per-node=24
|
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#SBATCH --time=2-00:00:00
|
||||
#SBATCH --mail-type=fail
|
||||
#SBATCH --mail-user=artur.glavic@psi.ch
|
||||
|
||||
#SBATCH -o stdout.log
|
||||
#SBATCH -e stderr.log
|
||||
|
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#SBATCH --partition=medium
|
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|
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echo "Starting at `date`"
|
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echo "Running on hosts: $SLURM_NODELIST"
|
||||
echo "Running on $SLURM_NNODES nodes."
|
||||
echo "Running on $SLURM_NPROCS processors."
|
||||
echo "Current working directory is `pwd`"
|
||||
|
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module load mcstas
|
||||
bash compile_if_needed.sh
|
||||
|
||||
set DEST=../results
|
||||
set ncount=1e10
|
||||
set use_cores=4
|
||||
set sample=1
|
||||
set sample_length=0.03
|
||||
set sample_height=0.01
|
||||
set lambda_start=3.5
|
||||
set lambda_end=14.0
|
||||
|
||||
|
||||
################## Reference ########################
|
||||
set omega=1.0
|
||||
set DESTi=$DEST/solid_liquid_reference
|
||||
if ( -e "$DESTi" ) then
|
||||
rm -r "$DESTi"
|
||||
endif
|
||||
|
||||
mpirun -np $use_cores Estia_baseline.out \
|
||||
--dir="$DESTi" --ncount=$ncount --gravitation \
|
||||
omegaa=$omega operationmode=1 theta_resolution=0.04 over_illumination=0.0025 \
|
||||
sample=$sample sample_length=$sample_length sample_height=$sample_height \
|
||||
lambda_start=$lambda_start lambda_end=$lambda_end enable_gravity=1 enable_chopper=1 enable_polarizer=0 enable_analyzer=0
|
||||
|
||||
################## H2O ########################
|
||||
set ncount=1e11
|
||||
set sample=5
|
||||
set omega=0.2
|
||||
set DESTi=$DEST/solid_liquid_h2o_02
|
||||
if ( -e "$DESTi" ) then
|
||||
rm -r "$DESTi"
|
||||
endif
|
||||
|
||||
mpirun -np $use_cores Estia_baseline.out \
|
||||
--dir="$DESTi" --ncount=$ncount --gravitation \
|
||||
omegaa=$omega operationmode=1 theta_resolution=0.04 over_illumination=0.0025 \
|
||||
sample=$sample sample_length=$sample_length sample_height=$sample_height \
|
||||
lambda_start=$lambda_start lambda_end=$lambda_end enable_gravity=1 enable_chopper=1 enable_polarizer=0 enable_analyzer=0
|
||||
|
||||
set ncount=1e10
|
||||
set omega=0.5
|
||||
set DESTi=$DEST/solid_liquid_h2o_05
|
||||
if ( -e "$DESTi" ) then
|
||||
rm -r "$DESTi"
|
||||
endif
|
||||
|
||||
mpirun -np $use_cores Estia_baseline.out \
|
||||
--dir="$DESTi" --ncount=$ncount --gravitation \
|
||||
omegaa=$omega operationmode=1 theta_resolution=0.04 over_illumination=0.0025 \
|
||||
sample=$sample sample_length=$sample_length sample_height=$sample_height \
|
||||
lambda_start=$lambda_start lambda_end=$lambda_end enable_gravity=1 enable_chopper=1 enable_polarizer=0 enable_analyzer=0
|
||||
|
||||
set ncount=4e9
|
||||
set omega=1.2
|
||||
set DESTi=$DEST/solid_liquid_h2o_12
|
||||
if ( -e "$DESTi" ) then
|
||||
rm -r "$DESTi"
|
||||
endif
|
||||
|
||||
mpirun -np $use_cores Estia_baseline.out \
|
||||
--dir="$DESTi" --ncount=$ncount --gravitation \
|
||||
omegaa=$omega operationmode=1 theta_resolution=0.04 over_illumination=0.0025 \
|
||||
sample=$sample sample_length=$sample_length sample_height=$sample_height \
|
||||
lambda_start=$lambda_start lambda_end=$lambda_end enable_gravity=1 enable_chopper=1 enable_polarizer=0 enable_analyzer=0
|
||||
|
||||
set ncount=2e9
|
||||
set omega=3.1
|
||||
set DESTi=$DEST/solid_liquid_h2o_31
|
||||
if ( -e "$DESTi" ) then
|
||||
rm -r "$DESTi"
|
||||
endif
|
||||
|
||||
mpirun -np $use_cores Estia_baseline.out \
|
||||
--dir="$DESTi" --ncount=$ncount --gravitation \
|
||||
omegaa=$omega operationmode=1 theta_resolution=0.04 over_illumination=0.0025 \
|
||||
sample=$sample sample_length=$sample_length sample_height=$sample_height \
|
||||
lambda_start=$lambda_start lambda_end=$lambda_end enable_gravity=1 enable_chopper=1 enable_polarizer=0 enable_analyzer=0
|
||||
|
||||
set ncount=1e9
|
||||
set omega=7.8
|
||||
set DESTi=$DEST/solid_liquid_h2o_78
|
||||
if ( -e "$DESTi" ) then
|
||||
rm -r "$DESTi"
|
||||
endif
|
||||
|
||||
mpirun -np $use_cores Estia_baseline.out \
|
||||
--dir="$DESTi" --ncount=$ncount --gravitation \
|
||||
omegaa=$omega operationmode=1 theta_resolution=0.04 over_illumination=0.0025 \
|
||||
sample=$sample sample_length=$sample_length sample_height=$sample_height \
|
||||
lambda_start=$lambda_start lambda_end=$lambda_end enable_gravity=1 enable_chopper=1 enable_polarizer=0 enable_analyzer=0
|
||||
|
||||
|
||||
################## D2O ########################
|
||||
set ncount=1e11
|
||||
set sample=6
|
||||
set omega=0.2
|
||||
set DESTi=$DEST/solid_liquid_d2o_02
|
||||
if ( -e "$DESTi" ) then
|
||||
rm -r "$DESTi"
|
||||
endif
|
||||
|
||||
mpirun -np $use_cores Estia_baseline.out \
|
||||
--dir="$DESTi" --ncount=$ncount --gravitation \
|
||||
omegaa=$omega operationmode=1 theta_resolution=0.04 over_illumination=0.0025 \
|
||||
sample=$sample sample_length=$sample_length sample_height=$sample_height \
|
||||
lambda_start=$lambda_start lambda_end=$lambda_end enable_gravity=1 enable_chopper=1 enable_polarizer=0 enable_analyzer=0
|
||||
|
||||
set ncount=1e10
|
||||
set omega=0.5
|
||||
set DESTi=$DEST/solid_liquid_d2o_05
|
||||
if ( -e "$DESTi" ) then
|
||||
rm -r "$DESTi"
|
||||
endif
|
||||
|
||||
mpirun -np $use_cores Estia_baseline.out \
|
||||
--dir="$DESTi" --ncount=$ncount --gravitation \
|
||||
omegaa=$omega operationmode=1 theta_resolution=0.04 over_illumination=0.0025 \
|
||||
sample=$sample sample_length=$sample_length sample_height=$sample_height \
|
||||
lambda_start=$lambda_start lambda_end=$lambda_end enable_gravity=1 enable_chopper=1 enable_polarizer=0 enable_analyzer=0
|
||||
|
||||
set ncount=4e9
|
||||
set omega=1.2
|
||||
set DESTi=$DEST/solid_liquid_d2o_12
|
||||
if ( -e "$DESTi" ) then
|
||||
rm -r "$DESTi"
|
||||
endif
|
||||
|
||||
mpirun -np $use_cores Estia_baseline.out \
|
||||
--dir="$DESTi" --ncount=$ncount --gravitation \
|
||||
omegaa=$omega operationmode=1 theta_resolution=0.04 over_illumination=0.0025 \
|
||||
sample=$sample sample_length=$sample_length sample_height=$sample_height \
|
||||
lambda_start=$lambda_start lambda_end=$lambda_end enable_gravity=1 enable_chopper=1 enable_polarizer=0 enable_analyzer=0
|
||||
|
||||
set ncount=2e9
|
||||
set omega=3.1
|
||||
set DESTi=$DEST/solid_liquid_d2o_31
|
||||
if ( -e "$DESTi" ) then
|
||||
rm -r "$DESTi"
|
||||
endif
|
||||
|
||||
mpirun -np $use_cores Estia_baseline.out \
|
||||
--dir="$DESTi" --ncount=$ncount --gravitation \
|
||||
omegaa=$omega operationmode=1 theta_resolution=0.04 over_illumination=0.0025 \
|
||||
sample=$sample sample_length=$sample_length sample_height=$sample_height \
|
||||
lambda_start=$lambda_start lambda_end=$lambda_end enable_gravity=1 enable_chopper=1 enable_polarizer=0 enable_analyzer=0
|
||||
|
||||
set ncount=1e9
|
||||
set omega=7.8
|
||||
set DESTi=$DEST/solid_liquid_d2o_78
|
||||
if ( -e "$DESTi" ) then
|
||||
rm -r "$DESTi"
|
||||
endif
|
||||
|
||||
mpirun -np $use_cores Estia_baseline.out \
|
||||
--dir="$DESTi" --ncount=$ncount --gravitation \
|
||||
omegaa=$omega operationmode=1 theta_resolution=0.04 over_illumination=0.0025 \
|
||||
sample=$sample sample_length=$sample_length sample_height=$sample_height \
|
||||
lambda_start=$lambda_start lambda_end=$lambda_end enable_gravity=1 enable_chopper=1 enable_polarizer=0 enable_analyzer=0
|
||||
|
||||
################## SMW ########################
|
||||
set ncount=1e11
|
||||
set sample=7
|
||||
set omega=0.2
|
||||
set DESTi=$DEST/solid_liquid_smw_02
|
||||
if ( -e "$DESTi" ) then
|
||||
rm -r "$DESTi"
|
||||
endif
|
||||
|
||||
mpirun -np $use_cores Estia_baseline.out \
|
||||
--dir="$DESTi" --ncount=$ncount --gravitation \
|
||||
omegaa=$omega operationmode=1 theta_resolution=0.04 over_illumination=0.0025 \
|
||||
sample=$sample sample_length=$sample_length sample_height=$sample_height \
|
||||
lambda_start=$lambda_start lambda_end=$lambda_end enable_gravity=1 enable_chopper=1 enable_polarizer=0 enable_analyzer=0
|
||||
|
||||
set ncount=1e10
|
||||
set sample=5
|
||||
set omega=0.5
|
||||
set DESTi=$DEST/solid_liquid_smw_05
|
||||
if ( -e "$DESTi" ) then
|
||||
rm -r "$DESTi"
|
||||
endif
|
||||
|
||||
mpirun -np $use_cores Estia_baseline.out \
|
||||
--dir="$DESTi" --ncount=$ncount --gravitation \
|
||||
omegaa=$omega operationmode=1 theta_resolution=0.04 over_illumination=0.0025 \
|
||||
sample=$sample sample_length=$sample_length sample_height=$sample_height \
|
||||
lambda_start=$lambda_start lambda_end=$lambda_end enable_gravity=1 enable_chopper=1 enable_polarizer=0 enable_analyzer=0
|
||||
|
||||
set ncount=4e9
|
||||
set sample=5
|
||||
set omega=1.2
|
||||
set DESTi=$DEST/solid_liquid_smw_12
|
||||
if ( -e "$DESTi" ) then
|
||||
rm -r "$DESTi"
|
||||
endif
|
||||
|
||||
mpirun -np $use_cores Estia_baseline.out \
|
||||
--dir="$DESTi" --ncount=$ncount --gravitation \
|
||||
omegaa=$omega operationmode=1 theta_resolution=0.04 over_illumination=0.0025 \
|
||||
sample=$sample sample_length=$sample_length sample_height=$sample_height \
|
||||
lambda_start=$lambda_start lambda_end=$lambda_end enable_gravity=1 enable_chopper=1 enable_polarizer=0 enable_analyzer=0
|
||||
|
||||
set ncount=2e9
|
||||
set sample=5
|
||||
set omega=3.1
|
||||
set DESTi=$DEST/solid_liquid_smw_31
|
||||
if ( -e "$DESTi" ) then
|
||||
rm -r "$DESTi"
|
||||
endif
|
||||
|
||||
mpirun -np $use_cores Estia_baseline.out \
|
||||
--dir="$DESTi" --ncount=$ncount --gravitation \
|
||||
omegaa=$omega operationmode=1 theta_resolution=0.04 over_illumination=0.0025 \
|
||||
sample=$sample sample_length=$sample_length sample_height=$sample_height \
|
||||
lambda_start=$lambda_start lambda_end=$lambda_end enable_gravity=1 enable_chopper=1 enable_polarizer=0 enable_analyzer=0
|
||||
|
||||
set ncount=1e9
|
||||
set sample=5
|
||||
set omega=7.8
|
||||
set DESTi=$DEST/solid_liquid_smw_78
|
||||
if ( -e "$DESTi" ) then
|
||||
rm -r "$DESTi"
|
||||
endif
|
||||
|
||||
mpirun -np $use_cores Estia_baseline.out \
|
||||
--dir="$DESTi" --ncount=$ncount --gravitation \
|
||||
omegaa=$omega operationmode=1 theta_resolution=0.04 over_illumination=0.0025 \
|
||||
sample=$sample sample_length=$sample_length sample_height=$sample_height \
|
||||
lambda_start=$lambda_start lambda_end=$lambda_end enable_gravity=1 enable_chopper=1 enable_polarizer=0 enable_analyzer=0
|
||||
|
||||
@@ -0,0 +1,177 @@
|
||||
#!/bin/bash
|
||||
|
||||
DEST=../results
|
||||
ncount=2e10
|
||||
use_cores=$SLURM_NPROCS
|
||||
sample=1
|
||||
omega=5.0
|
||||
sample_length=0.01
|
||||
sample_height=0.01
|
||||
lambda_start=3.00
|
||||
lambda_end=15.0
|
||||
|
||||
######################## 1% WFM for 30cm and 60cm device #######################
|
||||
|
||||
DESTi=$DEST/ersa_245Hz
|
||||
if [ -e "$DESTi" ]; then
|
||||
rm -r "$DESTi"
|
||||
fi
|
||||
|
||||
mpirun -np $use_cores Estia_baseline.out \
|
||||
--dir="$DESTi" --format=NeXuS --ncount=$ncount --gravitation \
|
||||
omegaa=$omega operationmode=0 theta_resolution=0.04 over_illumination=0.001 \
|
||||
sample=$sample sample_length=$sample_length sample_height=$sample_height \
|
||||
enable_windows=0 wfm_freq=245 wfm_shift=0.0 \
|
||||
lambda_start=$lambda_start lambda_end=$lambda_end enable_gravity=1 enable_chopper=1
|
||||
|
||||
|
||||
DESTi=$DEST/ersa_280Hz
|
||||
if [ -e "$DESTi" ]; then
|
||||
rm -r "$DESTi"
|
||||
fi
|
||||
|
||||
mpirun -np $use_cores Estia_baseline.out \
|
||||
--dir="$DESTi" --format=NeXuS --ncount=$ncount --gravitation \
|
||||
omegaa=$omega operationmode=0 theta_resolution=0.04 over_illumination=0.001 \
|
||||
sample=$sample sample_length=$sample_length sample_height=$sample_height \
|
||||
enable_windows=0 wfm_freq=280 wfm_shift=0.0 \
|
||||
lambda_start=$lambda_start lambda_end=$lambda_end enable_gravity=1 enable_chopper=1
|
||||
|
||||
|
||||
DESTi=$DEST/ersa_308Hz
|
||||
if [ -e "$DESTi" ]; then
|
||||
rm -r "$DESTi"
|
||||
fi
|
||||
|
||||
mpirun -np $use_cores Estia_baseline.out \
|
||||
--dir="$DESTi" --format=NeXuS --ncount=$ncount --gravitation \
|
||||
omegaa=$omega operationmode=0 theta_resolution=0.04 over_illumination=0.001 \
|
||||
sample=$sample sample_length=$sample_length sample_height=$sample_height \
|
||||
enable_windows=0 wfm_freq=308 wfm_shift=0.0 \
|
||||
lambda_start=$lambda_start lambda_end=$lambda_end enable_gravity=1 enable_chopper=1
|
||||
|
||||
|
||||
DESTi=$DEST/ersa_350Hz
|
||||
if [ -e "$DESTi" ]; then
|
||||
rm -r "$DESTi"
|
||||
fi
|
||||
|
||||
mpirun -np $use_cores Estia_baseline.out \
|
||||
--dir="$DESTi" --format=NeXuS --ncount=$ncount --gravitation \
|
||||
omegaa=$omega operationmode=0 theta_resolution=0.04 over_illumination=0.001 \
|
||||
sample=$sample sample_length=$sample_length sample_height=$sample_height \
|
||||
enable_windows=0 wfm_freq=350 wfm_shift=0.0 \
|
||||
lambda_start=$lambda_start lambda_end=$lambda_end enable_gravity=1 enable_chopper=1
|
||||
|
||||
|
||||
|
||||
DESTi=$DEST/ersa_r300_245Hz
|
||||
if [ -e "$DESTi" ]; then
|
||||
rm -r "$DESTi"
|
||||
fi
|
||||
|
||||
mpirun -np $use_cores Estia_baseline.out \
|
||||
--dir="$DESTi" --format=NeXuS --ncount=$ncount --gravitation \
|
||||
omegaa=$omega operationmode=0 theta_resolution=0.04 over_illumination=0.001 \
|
||||
sample=$sample sample_length=$sample_length sample_height=$sample_height \
|
||||
enable_windows=0 wfm_freq=245 wfm_shift=0.0 wfm_radius=0.3 \
|
||||
lambda_start=$lambda_start lambda_end=$lambda_end enable_gravity=1 enable_chopper=1
|
||||
|
||||
|
||||
DESTi=$DEST/ersa_r300_280Hz
|
||||
if [ -e "$DESTi" ]; then
|
||||
rm -r "$DESTi"
|
||||
fi
|
||||
|
||||
mpirun -np $use_cores Estia_baseline.out \
|
||||
--dir="$DESTi" --format=NeXuS --ncount=$ncount --gravitation \
|
||||
omegaa=$omega operationmode=0 theta_resolution=0.04 over_illumination=0.001 \
|
||||
sample=$sample sample_length=$sample_length sample_height=$sample_height \
|
||||
enable_windows=0 wfm_freq=280 wfm_shift=0.0 wfm_radius=0.3 \
|
||||
lambda_start=$lambda_start lambda_end=$lambda_end enable_gravity=1 enable_chopper=1
|
||||
|
||||
|
||||
|
||||
DESTi=$DEST/ersa_r300_308Hz
|
||||
if [ -e "$DESTi" ]; then
|
||||
rm -r "$DESTi"
|
||||
fi
|
||||
|
||||
mpirun -np $use_cores Estia_baseline.out \
|
||||
--dir="$DESTi" --format=NeXuS --ncount=$ncount --gravitation \
|
||||
omegaa=$omega operationmode=0 theta_resolution=0.04 over_illumination=0.001 \
|
||||
sample=$sample sample_length=$sample_length sample_height=$sample_height \
|
||||
enable_windows=0 wfm_freq=308 wfm_shift=0.0 wfm_radius=0.3 \
|
||||
lambda_start=$lambda_start lambda_end=$lambda_end enable_gravity=1 enable_chopper=1
|
||||
|
||||
|
||||
|
||||
DESTi=$DEST/ersa_r300_350Hz
|
||||
if [ -e "$DESTi" ]; then
|
||||
rm -r "$DESTi"
|
||||
fi
|
||||
|
||||
mpirun -np $use_cores Estia_baseline.out \
|
||||
--dir="$DESTi" --format=NeXuS --ncount=$ncount --gravitation \
|
||||
omegaa=$omega operationmode=0 theta_resolution=0.04 over_illumination=0.001 \
|
||||
sample=$sample sample_length=$sample_length sample_height=$sample_height \
|
||||
enable_windows=0 wfm_freq=350 wfm_shift=0.0 wfm_radius=0.3 \
|
||||
lambda_start=$lambda_start lambda_end=$lambda_end enable_gravity=1 enable_chopper=1
|
||||
|
||||
###################### 0.5% WFM ########################
|
||||
|
||||
ncount=4e10
|
||||
DESTi=$DEST/ersa_reverse_280Hz
|
||||
if [ -e "$DESTi" ]; then
|
||||
rm -r "$DESTi"
|
||||
fi
|
||||
|
||||
mpirun -np $use_cores Estia_baseline.out \
|
||||
--dir="$DESTi" --format=NeXuS --ncount=$ncount \
|
||||
omegaa=$omega operationmode=0 theta_resolution=0.04 over_illumination=0.001 \
|
||||
sample=$sample sample_length=$sample_length sample_height=$sample_height \
|
||||
enable_windows=0 wfm_freq=-280 wfm_shift=0.0 \
|
||||
lambda_start=$lambda_start lambda_end=$lambda_end enable_gravity=0 enable_chopper=1
|
||||
|
||||
|
||||
DESTi=$DEST/ersa_reverse_308Hz
|
||||
if [ -e "$DESTi" ]; then
|
||||
rm -r "$DESTi"
|
||||
fi
|
||||
|
||||
mpirun -np $use_cores Estia_baseline.out \
|
||||
--dir="$DESTi" --format=NeXuS --ncount=$ncount \
|
||||
omegaa=$omega operationmode=0 theta_resolution=0.04 over_illumination=0.001 \
|
||||
sample=$sample sample_length=$sample_length sample_height=$sample_height \
|
||||
enable_windows=0 wfm_freq=-308 wfm_shift=0.0 \
|
||||
lambda_start=$lambda_start lambda_end=$lambda_end enable_gravity=0 enable_chopper=1
|
||||
|
||||
|
||||
DESTi=$DEST/ersa_reverse_350Hz
|
||||
if [ -e "$DESTi" ]; then
|
||||
rm -r "$DESTi"
|
||||
fi
|
||||
|
||||
mpirun -np $use_cores Estia_baseline.out \
|
||||
--dir="$DESTi" --format=NeXuS --ncount=$ncount \
|
||||
omegaa=$omega operationmode=0 theta_resolution=0.04 over_illumination=0.001 \
|
||||
sample=$sample sample_length=$sample_length sample_height=$sample_height \
|
||||
enable_windows=0 wfm_freq=-350 wfm_shift=0.0 \
|
||||
lambda_start=$lambda_start lambda_end=$lambda_end enable_gravity=0 enable_chopper=1
|
||||
|
||||
|
||||
##################### Reference run ###############################
|
||||
ncount=1e10
|
||||
|
||||
DESTi=$DEST/ersa_ref
|
||||
if [ -e "$DESTi" ]; then
|
||||
rm -r "$DESTi"
|
||||
fi
|
||||
|
||||
mpirun -np $use_cores Estia_baseline.out \
|
||||
--dir="$DESTi" --format=NeXuS --ncount=$ncount --gravitation \
|
||||
omegaa=$omega operationmode=0 theta_resolution=0.04 over_illumination=0.001 \
|
||||
sample=$sample sample_length=$sample_length sample_height=$sample_height \
|
||||
enable_windows=0 wfm_freq=0 \
|
||||
lambda_start=$lambda_start lambda_end=$lambda_end enable_gravity=1 enable_chopper=1
|
||||
|
||||
Executable
+24
@@ -0,0 +1,24 @@
|
||||
#!/bin/tcsh
|
||||
#SBATCH -J wfm_McEstia
|
||||
#SBATCH -N 2
|
||||
#SBATCH --ntasks-per-node=24
|
||||
#SBATCH --time=1-00:00:00
|
||||
#SBATCH --mail-type=fail
|
||||
#SBATCH --mail-user=artur.glavic@psi.ch
|
||||
|
||||
#SBATCH -o stdout.log
|
||||
#SBATCH -e stderr.log
|
||||
|
||||
#SBATCH --partition=ll_long
|
||||
|
||||
echo "Starting at `date`"
|
||||
echo "Running on hosts: $SLURM_NODELIST"
|
||||
echo "Running on $SLURM_NNODES nodes."
|
||||
echo "Running on $SLURM_NPROCS processors."
|
||||
echo "Current working directory is `pwd`"
|
||||
|
||||
|
||||
module load mcstas
|
||||
|
||||
bash compile_if_needed.sh
|
||||
bash run_wfm.sh
|
||||
Reference in New Issue
Block a user