AMBER Archive (2004)

Subject: Re: AMBER: Intel Fortran Compiler Problem

From: Viktor Hornak (hornak_at_csb.sunysb.edu)
Date: Wed Sep 15 2004 - 10:18:01 CDT

Stephen,

If I remember well, there are issues with ifort linker and C-code.
Therefore compile ptraj separately. I guess the easiest way to do it is
something like this (once other important programs, e.g. sander, are
already compiled and installed in ../exe):

in 'src': ln -sf Machines/Machine.g77 MACHINE
cd ptraj
make
mv rdparm ptraj ../../exe

Compilation problems of this kind are fixed in amber8.

Good luck,
-V.

Stephen P. Molnar, Ph.D. wrote:
> Thanks for the reply. That took care of the first error.
>
> I got quite a bit further before:
>
> ar cru libpdb.a pdbrun.o pdb_read.o pdb_sprntf.o pdb_sscanf.o
> pdb_write.o ms.o
> : libpdb.a
> make[2]: Leaving directory `/home/computation/amber7/src/ptraj/pdb'
> ../Compile LOADCC -o rdparm main.o rdparm.o dispatch.o help.o utility.o
> io.o trajectory.o torsion.o rms.o display.o interface.o energy.o
> experimental.o ptraj.o actions.o analyze.o pdb/libpdb.a -lm
> /opt/intel_fc_80/bin/ifort -o rdparm main.o rdparm.o dispatch.o help.o
> utility.o io.o trajectory.o torsion.o rms.o display.o interface.o
> energy.o experimental.o ptraj.o actions.o analyze.o pdb/libpdb.a -lm
> main.o(.text+0x68): In function `main':
> : multiple definition of `main'
> /opt/intel_fc_80/lib/for_main.o(.text+0x0): first defined here
> ld: Warning: size of symbol `main' changed from 42 in
> /opt/intel_fc_80/lib/for_main.o to 271 in main.o
> /opt/intel_fc_80/lib/for_main.o(.text+0x1c): In function `main':
> : undefined reference to `MAIN__'
> make[1]: *** [rdparm] Error 1
> make[1]: Leaving directory `/home/computation/amber7/src/ptraj'
> make: *** [install] Error 2
>
> 

-- 
===================================================================
Viktor Hornak
Center for Structural Biology   Phone: (631)632-1439
SUNY at Stony Brook             Fax:   (631)632-1555
Stony Brook, NY 11794-5115      E-mail: viktor.hornak_at_sunysb.edu
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