X-Git-Url: http://mmka.chem.univ.gda.pl/gitweb/?a=blobdiff_plain;f=examples%2FUNRES-Dock%2Foutput%2Fstart_unres.mat;h=5f61b965991020f269c6a593009ec1cbe0ba3e93;hb=86a7a0fff3fb6d1c18791c4d2723ee3173d2cf65;hp=67e217f25abc5cc2744eb7ac5a7572a0966c996d;hpb=018446aca1e32faf80f41e818acbfc61e5d872c9;p=unres.git diff --git a/examples/UNRES-Dock/output/start_unres.mat b/examples/UNRES-Dock/output/start_unres.mat index 67e217f..5f61b96 100644 --- a/examples/UNRES-Dock/output/start_unres.mat +++ b/examples/UNRES-Dock/output/start_unres.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