AMBER Archive (2008)

Subject: AMBER: Amber9 fails test.parallel

From: Marc Cozzi (cozzi_at_hertz.rad.nd.edu)
Date: Wed Jan 30 2008 - 12:58:41 CST

Greetings,

I have built mpich2 with Intel ifort v 9.0 on an em64t
cluster of smp nodes, then built Amber 9 with same compiler
and mpich2. The serial version seems to pass most if not all
the test.serial, however, the parallel tests proceed for a while
then fail with the following error after

cd $AMBERHOME/test
setenv DO_PARALLEL 'mpirun -np 2 ' also tried mpiexec -n 2
mpd &
make test.parallel

Any help or pointers greatly appreciated.

==============================================================
cd tip4p; ./Run.tip4p_nve
diffing mdout.tip4p_nve.save with mdout.tip4p_nve
PASSED
==============================================================
cd tip5p; ./Run.tip5p
diffing mdout.tip5p.save with mdout.tip5p
PASSED
==============================================================
cd tip5p; ./Run.tip5p_nve
diffing mdout.tip5p_nve.save with mdout.tip5p_nve
PASSED
==============================================================
cd 4096wat; ./Run.pure_wat
forrtl: severe (174): SIGSEGV, segmentation fault occurred
rank 0 in job 12 ndrl.secure.net_46053 caused collective abort of all
ranks
  exit status of rank 0: return code 174
  ./Run.pure_wat: Program error
make[1]: *** [test.sander.BASIC] Error 1
make[1]: Leaving directory `/users1/ndrl/amber9/test'
make: *** [test.sander.BASIC.MPI] Error 2

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