RE: [AMBER] QM/MM

From: Catein Catherine <askamber23.hotmail.com>
Date: Wed, 6 May 2009 03:48:44 +0100

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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Received on Wed May 20 2009 - 14:48:51 PDT
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