Nwchem 6.3 running in Parallel


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Just Got Here
Hi,

I am trying to run NWCHEM 6.3 on the cluster but I cannot scale beyond 64 processors. Has anyone scaled it beyond that . Do we need to give some option during configuring NWCHEM . The error message I am getting is :

/opt/ogs/default/common/cms/cms_prolog: line 36: /opt/crl/actman/pending/3061: No such file or directory
/opt/ogs/default/common/cms/cms_prolog: line 52: /opt/crl/actman/scripts/pre_run.sh: No such file or directory