Zaher Salman
93f0b1c4d5
parIRL=1 crashed the engine with SIGSEGV (CGI exitCode 139) at both GUI defaults, so the sputtering path has never actually worked. The first diagnosis blamed KO(600,MAXNL5,2) being shallower than the 2000-wide recoil lists. That is wrong: enlarging KO to 2000 does not help, because the cascade overruns all of them. The real cause is parERC=0, which is the GUI default and what tests/Si_1layer/Si_1layer_E19000.inp carries. The primary knock-on test is IF(DEN(IV).LE.ERC) GO TO 6, so with no cutoff every atom receiving any energy is respawned as a recoil on each cascade generation; the branching ratio exceeds one and NREC1/NREC2 grow geometrically (81, 153, 269, 455, 773, 1317, ...) instead of draining, so the list-2/list-1 loop at label 83 never terminates. Forcing a real cutoff converges, with a peak depth of only 103, so KO was left at 600. fortran/trimspNL.F: - Refuse parIRL>=1 with parERC<=0 after readGuiInput, before any transport work, with a message naming the field to change. - The IF(NREC2.GT.2000) guard now stops non-zero instead of falling through into the out-of-bounds write loop, so any future non-convergent cascade fails cleanly instead of corrupting memory. TrimSPlib.js / TrimSP.html, so this is caught before the engine is invoked: - handleRecoilModeChange, wired to the parIRL widget, fills parERC with TRIMSP_MIN_RECOIL_CUTOFF = 0.02 when recoils are switched on with a cutoff of 0, and says so. - A pre-run check refuses the run if the user then insists on parIRL=1 with parERC=0, reporting via the status bar and a transient warning and focusing parERC. Deliberately not wired to parERC, so retyping the cutoff is what insisting means and is not silently overridden; this also covers shared config links, which assign widget values directly. - The parIRL tooltip documents the requirement. Tests: tests/recoil-cutoff-test.js (12 cases) lifts the shipped cutoff code out of TrimSPlib.js and runs it against a document stub. Verified against a fresh build: parERC=0/parIRL=1 now exits 1 with the new message instead of 139, parERC=0.02 completes with parIRL=0 or 1, and parERC=0/parIRL=0 output is unchanged (.rge byte-identical). tests/cgi-tests.sh 18/18.
Regression test set
The tests/ tree contains the 13 target configurations used as the reference
regression set for the TRIM.SP-NL modernization. Together they contain 143
energy-configuration points.
The committed .out files intentionally retain the banner TrimSPNL v1.3.2:
they are the historical RANLUX reference outputs used to check
behavior-preserving refactoring. They should therefore not be mechanically
regenerated or replaced when preparing a new release.
For changes intended to preserve behavior, current RANLUX output should agree with these references apart from nondeterministic timing fields and quantities affected by explicitly documented corrections. PCG32 and xoshiro256** generate different Monte Carlo histories and are therefore compared statistically rather than by bitwise output identity.
The configurations are:
6element_plus_multilayer7layer_stackSiO2_Al2O3_TiN_Si_4layerthin_Au_Cr_SiAu_Cr_Si_3layerAlCoCrFeNiTi_6elementsSiO2_Si_2layerSiO2_1layerSi_1layerthin_C_foilthin_C_Au_CLi8-Si_1layerLi8-thin_C_Au_C
When running an individual case manually, copy the relevant input deck to a scratch directory first so the committed reference files are not overwritten. The transport executable accepts an optional RNG backend as its second argument, for example:
trimspNL run_basename ranlux
trimspNL run_basename pcg32
trimspNL run_basename xoshiro
Omitting the second argument selects RANLUX.