I am running the pre-compiled NWCHem 6.0 Linux binary on a XEON machine with 4 processors and Suse Linux without problems in sequential mode. However, I have not been able to run it in parallel mode.
I created the nwchem.p file according to the intructions in the Documentation link, all the path stuff is apparently O.K. but any trial fails with error messages like that:
sock=0, pid=1, nsent=-1, len=56
1: snd_remote a: writing message to socket 39999999
system error message: Bad file descriptor
(and a few similar lines....)
The last entry in the output file has a message:
3: ARMCI aborting 0 (0)
Creating: localhost, host, file= etc with apparently correct entries
I suspect that I am lacking something to run parallel
Can somebody help ?
Thanks
Luis
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