[molpro-user] Can I compile molpro2009.1 parallel version without GA?
heping at sccas.cn
Sun Oct 11 12:45:03 BST 2009
The latest version with patches does solve one of my problems, xml to out
file. Thanks alot.
But I still have two problems.
*One* is to set TMPDIR path. When install, I don't set TMPDIR, no error is
reported. If only use one node, nothing is wrong. But when I use two
different nodes, it seemed that I could not set TMPDIR to a shared path. For
My working dir is a shared dir by SNFS, so ./tmp is shared from each node,
but node1 and node2 have their separate /tmp dir.
This command is OK, molpro will use default TMPDIR, /tmp
mpirun -np 2 -machinefile ./hosts molprop.exe ./h2f_merge.com
$ cat hosts
This command is wrong, molpro will use ./tmp as TMPDIR,
mpirun -np 2 -machinefile ./hosts molprop.exe -d ./tmp ./h2f_merge.com
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