RE: AMBER: sander MPI fails included tests

From: Ross Walker <>
Date: Mon, 25 Jun 2007 11:17:34 -0700

Hi Sergio,

> 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

This is pmemd 9.0 yes?

The configure line you give above is for pmemd (not sander) but then the
targetted MD test case will not run with PMEMD since it is not supported...
So I am confused what you actually ran here.

What did you have DO_PARALLEL set to?

What did you have TESTsander set to (if at all)?

What commands did you issue to run the test cases?

Did you compile sander in parallel (sander.MPI etc...)? As well as pmemd?

My suspicion is that this may be a compiler bug but we need to know exactly
what you did and what you are running before we can dig any deeper.

All the best

|\oss Walker

| HPC Consultant and Staff Scientist |
| San Diego Supercomputer Center |
| Tel: +1 858 822 0854 | EMail:- |
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Received on Wed Jun 27 2007 - 06:07:22 PDT
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