From 782e89c578bbd5abc012a0a8f4cf90df9a1314bb Mon Sep 17 00:00:00 2001 From: Spencer Bliven Date: Fri, 22 Jan 2021 21:34:09 +0100 Subject: [PATCH] Major Relion recompilation using newer openmpi - Add relion/2.1 with openmpi/4.0.4_slurm - Add relion/3.0.8-1 with openmpi/4.0.5_slurm - Mark 3.1.0-1 and 3.1.1 as stable - Deprecate all older versions (betas and versions with openmpi/3.1.4 and older, which don't work with the current configuration) --- EM/relion/files/variants | 17 +++++++++-------- EM/relion/modulefile | 2 +- 2 files changed, 10 insertions(+), 9 deletions(-) diff --git a/EM/relion/files/variants b/EM/relion/files/variants index c3633bf..d8c4123 100644 --- a/EM/relion/files/variants +++ b/EM/relion/files/variants @@ -1,8 +1,9 @@ -relion/2.1.b1 stable gcc/4.9.4 openmpi/2.0.1 cuda/8.0.44 -relion/3.0_beta stable gcc/4.9.4 openmpi/2.0.1 cuda/8.0.44 -relion/3.0.8 stable gcc/7.4.0 openmpi/3.1.4_merlin6 cuda/9.2.148 b:cmake/3.14.0 b:tiff/4.0.9 -relion/3.1-beta unstable gcc/7.4.0 openmpi/3.1.4_merlin6 cuda/9.2.148 b:cmake/3.14.0 b:tiff/4.0.9 -relion/3.1.0 stable gcc/7.5.0 openmpi/4.0.4_slurm cuda/10.0.130 b:cmake/3.15.5 b:tiff/4.0.9 b:git/2.22.0 -relion/3.1.0-1 unstable gcc/7.5.0 openmpi/4.0.4_slurm cuda/10.1.105 b:cmake/3.15.5 b:tiff/4.0.9 b:git/2.22.0 -relion/3.1.1 unstable gcc/9.3.0 openmpi/4.0.4_slurm cuda/11.0.3 b:cmake/3.15.5 b:tiff/4.0.9 b:git/2.22.0 - +relion/2.1.b1 deprecated gcc/4.9.4 openmpi/2.0.1 cuda/8.0.44 +relion/2.1 stable gcc/9.3.0 openmpi/4.0.4_slurm cuda/11.0.3 b:cmake/3.15.5 b:tiff/4.0.9 b:git/2.22.0 +relion/3.0_beta deprecated gcc/4.9.4 openmpi/2.0.1 cuda/8.0.44 +relion/3.0.8 deprecated gcc/7.4.0 openmpi/3.1.4_merlin6 cuda/9.2.148 b:cmake/3.14.0 b:tiff/4.0.9 +relion/3.0.8-1 stable gcc/9.3.0 openmpi/4.0.5_slurm cuda/11.0.3 b:cmake/3.15.5 b:tiff/4.0.9 b:git/2.22.0 +relion/3.1-beta deprecated gcc/7.4.0 openmpi/3.1.4_merlin6 cuda/9.2.148 b:cmake/3.14.0 b:tiff/4.0.9 +relion/3.1.0 deprecated gcc/7.5.0 openmpi/4.0.4_slurm cuda/10.0.130 b:cmake/3.15.5 b:tiff/4.0.9 b:git/2.22.0 +relion/3.1.0-1 stable gcc/7.5.0 openmpi/4.0.4_slurm cuda/10.1.105 b:cmake/3.15.5 b:tiff/4.0.9 b:git/2.22.0 +relion/3.1.1 stable gcc/9.3.0 openmpi/4.0.4_slurm cuda/11.0.3 b:cmake/3.15.5 b:tiff/4.0.9 b:git/2.22.0 diff --git a/EM/relion/modulefile b/EM/relion/modulefile index 9adae5c..9042d98 100644 --- a/EM/relion/modulefile +++ b/EM/relion/modulefile @@ -44,4 +44,4 @@ setenv RELION_RESMAP_EXECUTABLE /opt/psi/EM/ResMap/1.1.4/bin/ResMap # Version-specific variables setenv RELION_QSUB_TEMPLATE /opt/psi/EM/relion/$V/scripts/multi_gpu.sh -setenv RELION_MOTIONCOR2_EXECUTABLE /opt/psi/EM/MotionCor2/1.4.0/bin/MotionCor2_1.4.0_Cuda110 +setenv RELION_MOTIONCOR2_EXECUTABLE /opt/psi/EM/MotionCor2/1.4.0/bin/MotionCor2