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rungms script for slurm #74

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HarshaUgaveI opened this issue Apr 22, 2024 · 1 comment
Open

rungms script for slurm #74

HarshaUgaveI opened this issue Apr 22, 2024 · 1 comment

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@HarshaUgaveI
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I am working with SLURM scheduler on linux64 , while running gamess its throwing following issue
.
.
setenv GMCHEF /tmp/exam01.F87
setenv GMCMOL /tmp/exam01.F88
setenv GMCMOS /tmp/exam01.F89
setenv GMCWGT /tmp/exam01.F90
setenv GMCRM2 /tmp/exam01.F91
setenv GMCRM1 /tmp/exam01.F92
setenv GMCR00 /tmp/exam01.F93
setenv GMCRP1 /tmp/exam01.F94
setenv GMCRP2 /tmp/exam01.F95
setenv GMCVEF /tmp/exam01.F96
setenv GMCDIN /tmp/exam01.F97
setenv GMC2SZ /tmp/exam01.F98
setenv GMCCCS /tmp/exam01.F99
unset echo
Alas, MPI only supports SGE, PBS, or user-given node lists.
Please locate this place in the script and edit it.

run command - rungms gamess/tests/standard/exam01.inp 4 10
Please guide for slurm script in rungms

@saromleang
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Look at rungms-dev on how SLURM support is handled.

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