[gmx-developers] pme.c error in the CVS code ...

Xavier Periole x.periole at rug.nl
Thu Aug 4 15:44:11 CEST 2005

>> I went back to a more conventional version (keep the pme.c file) and 
>> included:
>> #ifdef GMX_MPI
>> #include <mpi.h>
>> #endif
>> then I got the error !!

Now another error :

 mpicc -DHAVE_CONFIG_H -I. -I. -I../../src -I/usr/X11R6/include 
-I../../include -DGMXLIBDIR=\"/data1/periole/GROCVS2//share/top\" -O3
-fomit-frame-pointer -finline-functions -Wall -Wno-unused -malign-double 
-funroll-all-loops -c pme.c -MT pme.lo -MD -MP -MF .deps/pme.TPlo -o pme.o
pme.c: In function `spread_q_bsplines':
pme.c:486: structure has no member named `pfft'
mpicc: No such file or directory
make[1]: *** [pme.lo] Error 1

The code at lign 484 is a bit strange ... could you have a look.

The compilation goes further .... anmd ends with the message again:
make[1]: *** No rule to make target `../mdlib/libmd_mpi.la', needed by 
`mdrun'.  Stop.

I don't get the reason for the mpi library ro have a problem !!!
Any idea ??


 Xavier Periole - Ph.D.

 Dept. of Biophysical Chemistry / MD Group   
 Univ. of Groningen
 Nijenborgh 4
 9747 AG Groningen
 The Netherlands
 Tel: +31-503634329
 Fax: +31-503634800
 email: x.periole at rug.nl
 web-page: http://md.chem.rug.nl/~periole

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