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rungms script for slurm #74

Open HarshaUgaveI opened 3 months ago

HarshaUgaveI commented 3 months ago

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 commented 3 months ago

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