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Posted: **Fri Dec 12, 2008 2:26 am**

Anyone have any luck running vasp on NERSC's Franklin machine after the upgrade to the 2.1 OS? I recompiled as instructed by NERSC after the upgrade, and saw no obvious problems during the compile, but vasp seg faults on running even on very simple test systems. This occurs with the general kpoint code every time, and with most systems with the gamma-point only code. Where in the run the problem occurs differs for different systems and INCAR settings. The most common place for the seg fault to occur however is at this point in the OUTCAR:

Code: Select all

Â FirstÂ callÂ toÂ EWALD:Â Â gamma=Â Â Â 0.512
Â MaximumÂ numberÂ ofÂ real-spaceÂ cellsÂ 3xÂ 3xÂ 3
Â MaximumÂ numberÂ ofÂ reciprocalÂ cellsÂ 3xÂ 3xÂ 3

Â Â Â Â FEWALD:Â Â VPUÂ timeÂ Â Â Â 0.00:Â CPUÂ timeÂ Â Â Â 0.00

producing in the error file something like:

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Â enteringÂ mainÂ loopÂ 
Â Â Â Â Â Â Â Â NÂ Â Â Â Â Â Â EÂ Â Â Â Â Â Â Â Â Â Â Â Â Â Â Â Â Â Â Â Â dEÂ Â Â Â Â Â Â Â Â Â Â Â Â dÂ epsÂ Â Â Â Â Â Â ncgÂ Â Â Â Â rmsÂ Â Â Â Â Â Â Â Â Â rms(c)Â 
Â _pmii_daemon(SIGCHLD):Â PEÂ 2Â exitÂ signalÂ SegmentationÂ faultÂ 
Â _pmii_daemon(SIGCHLD):Â PEÂ 3Â exitÂ signalÂ SegmentationÂ faultÂ

Posted: **Wed Sep 04, 2024 2:04 pm**

Hi,

We're sorry that we didn’t answer your question. This does not live up to the quality of support that we aim to provide. The team has since expanded. If we can still help with your problem, please ask again in a new post, linking to this one, and we will answer as quickly as possible.

Best wishes,

VASP

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problems running on NERSC's Franklin post OS upgrade and recompile

problems running on NERSC's Franklin post OS upgrade and recompile

Re: problems running on NERSC's Franklin post OS upgrade and recompile