AMBER Archive (2009)

Subject: RE: [AMBER] QM/MM

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• Reply: Catein Catherine: "[AMBER] Error message in "make test.sander""
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Dear All,

We compile amber 8 on our supercomputer without error message. However, we found we cannot run parallel (the jobs idle). So, I do the test.parallel according to the manual. Here is the error message that I found. Could you mind to let me know what's does it mean?

Best regards & thanks,

Cat

[supercomputer]$ set DO_PARALLEL 'mpirun -np 4'
[supercomputer]$ make test.sander
cd dmp; ./Run.dmp

  Unit 6 Error on OPEN: mdout.dmp
[0] MPI Abort by user Aborting program !
[0] Aborting program!
p0_7963: p4_error: : 1
  ./Run.dmp: Program error
make: *** [test.sander.no_lmod] Error 1
[supercomputer]$

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• Previous message: Matthew Wilce: "[AMBER] ntf, ntc with softcore potentials and TI in amber10"
• In reply to: Ross Walker: "RE: [AMBER] QM/MM"
• Next in thread: Catein Catherine: "[AMBER] Error message in "make test.sander""
• Reply: Catein Catherine: "[AMBER] Error message in "make test.sander""
• Messages sorted by: [ date ] [ thread ] [ subject ] [ author ]