Molcas 7.2 Parallel: "Can't creat dir" from para_mkdir.c


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Posted by Victor Oyeyemi on May 26, 2009 at 23:31:10:

Dear Molcas Users and Developers,

I have compiled Molcas 7.2 with g77 and MPICH on a distributed system. Molcas only runs for jobs on single node. Once nodes =2 or more is used, I get "Can't create dir." The source of this message has been traced to para_mkdir.c. Can some please help?


Here is my submission script.

#!/bin/bash
#PBS -l nodes=2:ppn=1,walltime=4:00:00
#

export CPUS=`wc -l <${PBS_NODEFILE}`


export Project=test000

#SET SOME ENVIRONMET VARIABLES FOR MOLCAS
mkdir -p /scratch/
mkdir -p /scratch/voyeyemi/temp_${Project}

ThisDir=/scratch/voyeyemi/temp_${Project}
export WorkDir=/scratch/voyeyemi/temp_${Project}
export MOLCAS=/home/voyeyemi/molcas72
export MOLCASMEM=1000


molcas -new ${Project}.input > ${Project}.out


Thanks Victor.





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