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AMBER Archive (2007)Subject: RE: AMBER: sander MPI fails included tests
From: Ross Walker (ross_at_rosswalker.co.uk)
Hi Sergio,
> forrtl: severe (174): SIGSEGV, segmentation fault occurred
This is pmemd 9.0 yes?
The configure line you give above is for pmemd (not sander) but then the
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
All the best
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