Problem of parallization?  [SOLVED]

Total energy, geometry optimization, DFT+U, spin....

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ljludwig
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Problem of parallization?  [SOLVED]

Post by ljludwig » Mon Dec 09, 2013 6:30 am

Dear All:

When running a job in 2x12 cores, it works, however, when running a job iunder 4x12 cores, it gets stuck at

"chkinp: Checking input parameters for consistency", but there is no error report, and I'm well aware that I have 48 cores access (otherwise abinit wouldn't run )

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pouillon
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Re: Problem of parallization?

Post by pouillon » Tue Dec 10, 2013 11:56 am

Your problem might be related to the multiple recently-discovered initialization issues that were fixed by Jean-Michel Beuken for the upcoming Abinit 7.6. Until Abinit 7.6.1 is released, which will take a few weeks, I suggest you to keep using a number of processors with which the calculation works or to rebuild Abinit using another MPI library / version.
Yann Pouillon
Simune Atomistics
Donostia-San Sebastián, Spain

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