Marilisa Neri wrote:
I am trying to compile by hand the mdrun executable. For this reason,
I have selected just the routines that I need.
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?
You probably need more defines that are generated for you when you use
the configure script. You could try to run configure and see what extra
defines are generated (src/config.h).
Otherwise, you're on your own...
Thank you very much,
Marilisa
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