AMBER Archive (2007)

Subject: AMBER: sander MPI fails included tests

From: Sergio Wong (swong_at_mccammon.ucsd.edu)
Date: Mon Jun 25 2007 - 12:20:55 CDT

Dear amber users;

     I recently compiled a parallel version of amber 9 which gives the
following error:

forrtl: severe (174): SIGSEGV, segmentation fault occurred

While performing the test under AMBERHOME/test/tgtmd/change_target.ntr.

It was configured : ./configure linux_em64t ifort mpich_gm pubfft

Ifort is version 9.1, MKL version 8.1

The tests previous to this one pass. In fact, I'm able to run a test MD
simulation without this type of problem. What can I do about this?

Thanks

-Sergio
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