AMBER: compiling pmemd on dual xeon

From: Tiziano Tuccinardi <>
Date: Tue, 17 May 2005 19:28:31 +0200

Dear all,
I'm trying to compile amber8 on a dual Xeon 3.4 GHz using Fedora core 3,
mpich-1.2.6 and intel fortrand compiler 8.1
I hadn't any problem with the parallel version of sander, but I have
some problem with pmemd:
I use this file config.h
#!/bin/csh -f
setenv MPICH_HOME /usr/local/mpich-1.2.6
setenv MPILIB "-L$MPICH_LIBDIR -lmpich"


setenv CPP "/lib/cpp -traditional -I$MPICH_INCLUDE"

setenv OPT_LO "ifort -c -auto -tpp7 -O0"
setenv OPT_MED "ifort -c -auto -tpp7 -O2"
setenv OPT_HI "ifort -c -auto -tpp7 -xW -mp1 -ip -O3"

setenv LOAD "ifort"
setenv LOADLIB " -limf -lsvml $MPILIB"

The compilation doesn't give me any error, but when I launch a
calculation I have this error:

p0_31812: p4_error: interrupt SIGSEGV: 11
p1_31841: p4_error: interrupt SIGSEGV: 11

Anyone else experience something like this?

Thanks in advanced

Dr. Tiziano Tuccinardi
Dip. Scienze Farmaceutiche
Via Bonanno, 6
56126 PISA
Tel ++39 050 2219572
E-mail <>
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Received on Tue May 17 2005 - 18:53:01 PDT
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