[gmx-users] Possible problem in trxio.c

[David]

On Wed, 2004-06-30 at 19:31, Pierfrancesco Zuccato wrote:
> Hi gmx-users,
> 
>    I'm installing gromacs 3.2.1 on a quad-Opteron using the PGI set of 
> compilers (ver. 5.1, linux84-64) on Suse 9.1 64 bit.
> 
> If I run make, I get the following error:
> 
> PGC-W-0114-More than one type specified 
> (/usr/pgi/linux86-64/5.1/include/sys/types.h: 66)
> PGC-W-0143-Useless typedef declaration (no declarators present) 
> (/usr/pgi/linux86-64/5.1/include/sys/types.h: 66)
> PGC-W-0114-More than one type specified 
> (/usr/pgi/linux86-64/5.1/include/sys/types.h: 81)
> PGC-W-0143-Useless typedef declaration (no declarators present) 
> (/usr/pgi/linux86-64/5.1/include/sys/types.h: 81)
> PGC-W-0095-Type cast required for this conversion (tpxio.c: 997)
> PGC-S-0090-Scalar data type required for logical expression (tpxio.c: 1322)
> PGC/x86-64 Linux/x86-64 5.1-6: compilation completed with severe errors
> 
> Apparently line 1322 fo tpxio.c is killing the compilation. If I comment 
> it, the compilation proceeds till the end.
> This is probably due to the fact that the type "matrix" is defined 
> statically (see: types/simple.h:typedef real             matrix[DIM][DIM];)
> 
> 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);

OK, both look weird, but I'll look into it. I've just installed the
compiler as well. 

Could you, please, if you have everything up and running, run the
benchmarks, and send me the results?
> 
> 
> 
> 
> 
> Pier
-- 
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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