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

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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Re: Molcas 7.2 Parallel: "Can't creat dir" from para_mkdir.c Valera Veryazov 08:15:19 5/30/09 (0)

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Comments:
: 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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