X-Git-Url: http://mmka.chem.univ.gda.pl/gitweb/?a=blobdiff_plain;f=source%2Fga%2Finput-templates%2Fmatrix%2Fstart_all.pbs;h=1d8dd1a2c1d1b8361d963c49e7dc57f22a73fc2e;hb=89f8403de23267faa00eec8d2353c3ed7fe879cc;hp=3a7a92ccc369dc8ab6a9f9e63656376dab4534eb;hpb=5292ed5bd4e5f8929fd456d3497b8695eb6d2c60;p=unres.git diff --git a/source/ga/input-templates/matrix/start_all.pbs b/source/ga/input-templates/matrix/start_all.pbs index 3a7a92c..1d8dd1a 100755 --- a/source/ga/input-templates/matrix/start_all.pbs +++ b/source/ga/input-templates/matrix/start_all.pbs @@ -1,4 +1,4 @@ -#PBS -N 1LE1-1LY2 +#PBS -N 1LE1 #PBS -q dque #PBS -l nodes=32:ppn=8 #PBS -l walltime=1:00:00 @@ -20,6 +20,8 @@ time /users/software/mpich_ssh/bin/mpirun -machinefile $PBS_NODEFILE -np 16 ./op set DATA=`date +%Y-%m-%d-%H%M%S` mkdir ceiksy-$DATA mv *.cx ceiksy-$DATA +cp *.pdb ceiksy-$DATA +cp unresga.bank ceiksy-$DATA #mail -s "Scheraga - wyniki dla single-test sa dostepne" lightnir@gmail.com