X-Git-Url: http://mmka.chem.univ.gda.pl/gitweb/?a=blobdiff_plain;f=examples%2FUNRES-Dock%2Fstart_unres_example.mat;fp=examples%2FUNRES-Dock%2Fstart_unres_example.mat;h=995f40cd2b3906946f43328ad1b3f9aec33ea3e9;hb=86a7a0fff3fb6d1c18791c4d2723ee3173d2cf65;hp=d1a86dda35a56c5fc74a2c7ca9f85f8614de2ba3;hpb=018446aca1e32faf80f41e818acbfc61e5d872c9;p=unres.git diff --git a/examples/UNRES-Dock/start_unres_example.mat b/examples/UNRES-Dock/start_unres_example.mat index d1a86dd..995f40c 100644 --- a/examples/UNRES-Dock/start_unres_example.mat +++ b/examples/UNRES-Dock/start_unres_example.mat @@ -1,6 +1,6 @@ #PBS -N test #PBS -q dell -#PBS -l nodes=8:ppn=12 +#PBS -l nodes=4:ppn=12 #PBS -l walltime=48:00:00 setenv MPIRUN "/users/software/mpich2-1.4.1p1_intel/bin/mpirun " @@ -8,7 +8,7 @@ setenv NPROCS `cat $PBS_NODEFILE | wc -l` cd $PBS_O_WORKDIR -setenv FGPROCS 4 +setenv FGPROCS 2 setenv POT GB setenv PREFIX unres_dock setenv OUT1FILE YES