Tiziano -
Have you set 'stacksize unlimited' in your .cshrc (or done the equivalent things if you use the Bourne shell)?
Regards - Bob Duke
----- Original Message -----
From: Tiziano Tuccinardi
To: amber.scripps.edu
Sent: Tuesday, May 17, 2005 1:28 PM
Subject: AMBER: compiling pmemd on dual xeon
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 MPICH_INCLUDE $MPICH_HOME/include
setenv MPICH_LIBDIR $MPICH_HOME/lib
setenv MPILIB "-L$MPICH_LIBDIR -lmpich"
setenv PREPROCFLAGS "-DMPI -DSLOW_NONBLOCKING_MPI -DDIRFRC_VECT_OPT"
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
Tiziano
--
+++++++++++++++++++++++++++
Dr. Tiziano Tuccinardi
Dip. Scienze Farmaceutiche
Via Bonanno, 6
56126 PISA
Tel ++39 050 2219572
E-mail tuccinardi.farm.unipi.it
+++++++++++++++++++++++++++
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Received on Tue May 17 2005 - 19:53:00 PDT
