Hi Yang,
Can you give me some more info here please. What version of mvapich are you
using? What compilers and which versions? What options did you pass to
configure_amber?
Also are you using MKL? If so then which version (exactly) is it?
Could you also please go into the test/qmmm2/1NLN_test_diagonalizers
directory and send me the output file / partial output file produced by the
Run.1NLN_dsyevr script.
All the best
Ross
> -----Original Message-----
> From: owner-amber.scripps.edu [mailto:owner-amber.scripps.edu] On Behalf
> Of Yang, Ping
> Sent: Wednesday, November 05, 2008 3:44 PM
> To: amber.scripps.edu
> Subject: AMBER: AMBER10: QMMM parallel test error
>
> Greetings,
>
> I compiled the serial version and parallel version of Amber using mvapich
> and intel compiler for Barcelona processors with no error.
> The test for serial version passed smoothly along with the
> "test.parallel". However, the "test.parallel.QMMM" quited with the
> following error message:
>
>
> ==============================================================
> cd qmmm2/1NLN_test_diagonalizers && ./Run.1NLN_dsyevd
> diffing mdout.1NLN_dsyevd.save with mdout.1NLN_dsyevd
> PASSED
> ==============================================================
> cd qmmm2/1NLN_test_diagonalizers && ./Run.1NLN_dsyevr
> forrtl: severe (174): SIGSEGV, segmentation fault occurred
> Image PC Routine Line Source
> libpthread.so.0 000000353C70C4F0 Unknown Unknown
> Unknown
> libmkl_lapack.so 0000002A9B4C631F Unknown Unknown
> Unknown
> rank 0 in job 150 cu0login1_55120 caused collective abort of all ranks
> exit status of rank 0: killed by signal 9
> ./Run.1NLN_dsyevr: Program error
> make[1]: *** [test.sander.QMMM] Error 1
> make[1]: Leaving directory `/home/amber/amber10/amber10/test'
> make: *** [test.sander.QMMM.MPI] Error 2
>
>
> I'd appreciate any help to solve this problem and please let me know if
> further information is needed for diagnosis.
>
> Thank you,
>
> -Ping
>
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Received on Fri Dec 05 2008 - 10:58:57 PST
