AMBER Archive (2009)

Subject: [AMBER] errors while testing

From: Per Jr. Greisen (pgreisen_at_gmail.com)
Date: Tue Apr 07 2009 - 05:00:19 CDT

Hi all,

thanks for all the help with installing the amber10 in SunOS - I have
now created an executable. First I would like to investigate the
different test cases within Amber

make test

which gives errors for

cd LES_GB && ./Run.LES
SANDER: LES+GB
1: GB/LES GB1 diffcoords
Job cre.764 on bohr: received signal FPE.
  ./Run.LES: Program error
*** Error code 1
make: Fatal error: Command failed for target `test.sander.LES'

is this again a compiler issue with trapping? I have encountered these
on SunOS versus other OS. If I try to test the parallel
export DO_PARALLEL='mprun -np 4'
make test.parallel

it returns the following error
export TESTsander=/appl/ggamess/amber10/amber10/exe/sander.MPI; make
test.sander.BASIC
sh: TESTsander=/appl/ggamess/amber10/amber10/exe/sander.MPI: is not an
identifier
*** Error code 1
make: Fatal error: Command failed for target `test.sander.BASIC.MPI'

on the other hand if I use the
make test.sander.TI

all the tests in this suit goes through? How to modify the Makefile in
order to run the parallel test runs?

Any help appreciated thanks in advance

With kind regards
Per

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