[gmx-users] Possible problem in trxio.c

[David van der Spoel]

On Wed, 2005-06-01 at 23:49 -0500, Claudio J. Margulis wrote:
> I am trying to compile gromacs on an dual opteron machine with the 
> Portland Group compilers and find exactly the same problems as described by
> Pierfrancesco Zuccato and others.
> 
> i.e.
> 
> /bin/sh ../../libtool --mode=compile mpicc -DHAVE_CONFIG_H -I. -I. 
> -I../../src  -I../../include 
> -DGMXLIBDIR=\"/usr/local/gromacs-pgi-64-mpi/share/top\" 
> -I/usr/local/fftw-2.1.5-pgi-64/include -I/usr/include/libxml2  -fast -pc 
> 32 -I/usr/include/libxml2 -c -o tpxio.lo `test -f 'tpxio.c' || echo 
> './'`tpxio.c
> mpicc -DHAVE_CONFIG_H -I. -I. -I../../src -I../../include 
> -DGMXLIBDIR=\"/usr/local/gromacs-pgi-64-mpi/share/top\" 
> -I/usr/local/fftw-2.1.5-pgi-64/include -I/usr/include/libxml2 -fast -pc 
> 32 -I/usr/include/libxml2 -c tpxio.c -o tpxio.o
> PGC-W-0095-Type cast required for this conversion (tpxio.c: 997)
This is not very important.

> PGC-S-0090-Scalar data type required for logical expression (tpxio.c: 1322)
> PGC/x86-64 Linux/x86-64 6.0-4: compilation completed with severe errors
> make[3]: *** [tpxio.lo] Error 1
> make[3]: Leaving directory `/data/raid0/local/src/gromacs-3.2.1/src/gmxlib'
> make[2]: *** [all-recursive] Error 1
> make[2]: Leaving directory `/data/raid0/local/src/gromacs-3.2.1/src'
> make[1]: *** [all] Error 2
> make[1]: Leaving directory `/data/raid0/local/src/gromacs-3.2.1/src'
> make: *** [all-recursive] Error 1
> 
> I have seen another recent post from march on this problem, but no answer.  Pierfrancesco suggests to change the following lines
> "
>  In order to correct this I changed in tpxio.c: 1322
> > 
> >  /*   if (*box) copy_mat(state.box,box); */
> >     if((void*) box) copy_mat(state.box,box);
It should be:
if (box) copy_mat(state.box,box);
and
if (lambda) *lambda = state.lambda

> 
> "
> Is this what is suggested as a solution?
> 
> Thanks for your help and cooperation!!
> 
> Claudio
> 
-- 
David.
________________________________________________________________________
David van der Spoel, PhD, Assoc. Prof., Molecular Biophysics group,
Dept. of Cell and Molecular Biology, Uppsala University.
Husargatan 3, Box 596,          75124 Uppsala, Sweden
phone:  46 18 471 4205          fax: 46 18 511 755
spoel at xray.bmc.uu.se    spoel at gromacs.org   http://xray.bmc.uu.se/~spoel
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