AMBER Archive (2007)

Subject: AMBER: amber9: running parallel error

From: Khatcharin Siriwong (skhatcha_at_kku.ac.th)
Date: Wed Apr 11 2007 - 03:08:16 CDT

Dear All,

Serial compilation and test.serial were fine for AMBER9 installation
(using "ifort_ia32" (intel_fc_p_9.0.021 version). Also, parallel
compilation was successed, but when I run sander.MPI with
command

setenv PARALLEL "mpirun -np 2 $AMBERHOME/exe/sander.MPI"

$PARALLEL -O -i gbin -c md12.x -o mdout.dhfr

I got error message
**********
p0_7004: p4_error: Child process exited while making connection
to remote process on ch1: 0
forrtl: error (69): process interrupted (SIGINT)
p0_7004: (33.014300) net_send: could not write to fd=4, errno =
32
**********

This run was on master node, not client.
Any suggestion to solve this problem?

Note:
System:
     Intel Xeon 2CPUs
OS:
     SUSE Linux Enterprise Server 9 (Kernel 2.6)
MPICH2:
     mpich-1.2.7p1 compiled by ifort (intel_fc_p_9.0.021 version)
Compiling SANDER:
     ./configure -mpich2 -static ifort_ia32
     make clean
     make parallel
(PATH for ifort, AMBERHOME and MPI_HOME were set)

One more question, after parallel compilation, there was no
executed file "pmemd" in $AMBERHOME/exe. What's wrong?

Many thanks in advance.

Regards,
Khatcharin

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