From: Joshua D. Moore (jdmoore_at_unity.ncsu.edu)
Date: Wed Jan 31 2007 - 14:47:14 CST
I recently compiled a 32 bit version of NAMD 2.6 on an IBM blade cluster.
Most of the machines are dual core, but two are quad core. The version I
compiled seems to run fine on the dual core machines but not on the quad
It was compiled with intel version 71 compilers for MPI, and gnu compilers
(g++ and gcc) for the native C and C++ compilers. icc and icpc compilers
didn't seem to work (as did intel 8.1 and 9.1 compilers).
Previously I had compiled version 2.6b1 on these machines and it seems to
run fine on both the dual core and the quad core machines. I used the
same compilers for this as 2.6. The only difference I can tell is that
this time I gave explicit links to the mpich libraries.
Does anyone know why I could be having this problem? (See below for files)
The charm megatests ran fine.
Here is my cham conv-mach.sh for mpi-linux
CMK_CXXPP='mpicxx -E '
CMK_LIBS='-L/usr/local/intel/mpich-1.2.6/linux86/7.1/lib -lckqt -lfmpich
-lmpichf90 -lmpich '
-L/opt/absoft/lib -lf90math -lfio -lU77 -lf77math -lmkl_lapack
Here are my NAMD arch files
CHARMARCH = mpi-linux
NAMD_ARCH = Linux-i686
CHARMARCH = net-linux
CXX = g++
CXXOPTS = -O3 -march=pentiumpro -ffast-math -static
CC = gcc
COPTS = -O3 -march=pentiumpro -ffast-math -static
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