[gmx-users] Possible problem in trxio.c

[Pierfrancesco Zuccato]

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);





Pier


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Pierfrancesco Zuccato

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