On Tue, 08 Apr 2008 15:49:10 +0200
Marilisa Neri <[EMAIL PROTECTED]> wrote:
I am trying to compile by hand the mdrun executable. For this reason, I
have selected just the routines that I need.
Why don't you run the configure and then use "make mdrun" I think it will
do what you want!
I collected a list of file.c, file.h, and file.s .
I compiled the files .c and .s with this command:
(i) mpicc -c *.[cs] -I. -I /fftw-2.1.5/include/ -DHAVE_CONFIG_H
-DGMXLIBDIR=\"/Software/gromacs-3.3.1/share/gromacs/top/\"
Then, I created the executable "my_mdrun" in this way:
(ii) mpicc *.o -lm -L /usr/X11R6/lib -lXm -L
/home/marilisa/fftw-2.1.5/lib/ -lsfftw -ldrfftw -ldfftw -o my_mdrun
This procedure works with a 32-bits architecture.
When I running the command (i) with a 64-bits architecture, I have a problem
with the routines: x86_3dnow.s, x86_cpuid.s, x86_sse.s.
The general error is:
x86_3dnow.s:104: Error: suffix or operands invalid for `push'
x86_3dnow.s:156: Error: suffix or operands invalid for `pop'
x86_sse.s:18151: Error: suffix or operands invalid for `pop'
x86_sse.s:18273: Error: suffix or operands invalid for `push'
x86_cpuid.s:73: Error: suffix or operands invalid for `push'
x86_cpuid.s:84: Error: suffix or operands invalid for `pop'
Someone could help me?
Thank you very much,
Marilisa
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-----------------------------------------------------
XAvier Periole - PhD
NMR & Molecular Dynamics Group
University of Groningen
The Netherlands
http://md.chem.rug.nl/~periole
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