RedHat6.2


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My admin asked me to check if NWCHEM is supported on RedHat6.2; I searched online but I could not find anything.

Thanks

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Mef362,
I do not anticipate any problem under RedHat 6.2.
I have just used NWChem under a derivative of RH 6.3 and I have observed no problems so far.

Cheers, Edo

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Thanks Edo. We are having problems running on our new system which uses Qlogic; therefore, we have been trying to use MPI-SPAWN with openmpi.

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Qlogic
Quote:Mef362 Jan 18th 12:02 pm
Thanks Edo. We are having problems running on our new system which uses Qlogic; therefore, we have been trying to use MPI-SPAWN with openmpi.

The issue is with Qlogic, not with RedHat 6.2
The Global Arrays library (used by NWChem) does not work out of the box on Qlogic.
You might want to contact the Global Arrays developers.
Some details on the Qlogic GA issue at

https://groups.google.com/forum/#!searchin/hpctools/qlogic/hpctools/XyEd89-TD9w/jQ6OpgiIEa...

Edo

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Ok thanks. Do you know if there will be a new version of nwchem that will work with Qlogic

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Quote:Mef362 Jan 18th 2:02 pm
Ok thanks. Do you know if there will be a new version of nwchem that will work with Qlogic


We should have a new release within the next 2-4 months. We should be able to release something that runs on Qlogic,
but the performances will not be optimal. I would suggest you to ping us again in a couple of months.

Cheers, Edo

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Hi Edo,

It's been about three months now, so I'm wondering if you have a release of NWCHEM that will run on Qlogic

Thanks, Mike

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Mike,
The answer is yes. Some Intel folks have provided some patches that will make NWChem run on Qlogic.
These modifications will be distributed in the upcoming release.
I have not tested this myself yet. Beta testers are welcome.
Edo

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I'm willing to be a Beta tester, how would I do that?


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