[gmx-users] GROMACS-3.3.2 on BG/L

[Ivano Eberini]

Dear all,

we have been trying to compile GROMACS-3.3.2 on a BG/L with blrts_XL  
compilers.

These are the configure options we used:

./configure MPICC=mpixlc MPIF77=mpixlf --program-suffix=_mpi_s -- 
prefix=$HOME/bin/gromacs-3.3.2 --without-x --with-fft=fftpack -- 
enable-fortran --enable-mpi -host=powerpc

Configure works without apparent problems, but during the make we  
obtain the following error:

make[5]: Entering directory `/home/b04/gspsp/gromacs-3.3.2/src/gmxlib/ 
nonbonded/nb_kernel'
blrts_xlc -DHAVE_CONFIG_H -I. -I../../../../src -c -o mknb.o mknb.c
blrts_xlc -DHAVE_CONFIG_H -I. -I../../../../src -c -o mknb_metacode.o  
mknb_metacode.c
blrts_xlc -DHAVE_CONFIG_H -I. -I../../../../src -c -o mknb_common.o  
mknb_common.c
blrts_xlc -DHAVE_CONFIG_H -I. -I../../../../src -c -o  
mknb_declarations.o mknb_declarations.c
blrts_xlc -DHAVE_CONFIG_H -I. -I../../../../src -c -o  
mknb_outerloop.o mknb_outerloop.c
blrts_xlc -DHAVE_CONFIG_H -I. -I../../../../src -c -o  
mknb_innerloop.o mknb_innerloop.c
blrts_xlc -DHAVE_CONFIG_H -I. -I../../../../src -c -o  
mknb_interactions.o mknb_interactions.c
blrts_xlc -DHAVE_CONFIG_H -I. -I../../../../src -o mknb mknb.o  
mknb_metacode.o mknb_common.o mknb_declarations.o mknb_outerloop.o  
mknb_innerloop.o mknb_interactions.o
rm -f kernel-stamp
./mknb   -software_invsqrt  -fortran
 >>> Gromacs nonbonded kernel generator (-h for help)
 >>> Generating single precision functions in Fortran77.
 >>> Using Gromacs software version of 1/sqrt(x).
Error: Cannot open nb_kernel010_f.f for writing.
make[5]: *** [kernel-stamp] Error 1
make[5]: Leaving directory `/home/b04/gspsp/gromacs-3.3.2/src/gmxlib/ 
nonbonded/nb_kernel'
make[4]: *** [all-recursive] Error 1
make[4]: Leaving directory `/home/b04/gspsp/gromacs-3.3.2/src/gmxlib/ 
nonbonded'
make[3]: *** [all-recursive] Error 1
make[3]: Leaving directory `/home/b04/gspsp/gromacs-3.3.2/src/gmxlib'
make[2]: *** [all-recursive] Error 1
make[2]: Leaving directory `/home/b04/gspsp/gromacs-3.3.2/src'
make[1]: *** [all] Error 2
make[1]: Leaving directory `/home/b04/gspsp/gromacs-3.3.2/src'
make: *** [all-recursive] Error 1

Same problem if we try to compile without fortran.

**If we use XL instead of blrts_XL compilers, the compilation works  
properly**

Any suggestion?

Thanks in advance and best regards,
Ivano
--
Ivano Eberini
Gruppo di Studio per la Proteomica e la Struttura delle Proteine
Dipartimento di Scienze Farmacologiche
Università degli Studi di Milano
Via Giuseppe Balzaretti, 9
20133 - Milano
tel.: +39-02-50318395, fax: +39-02-50318284

"Quelli che scavano il sole, cercando un'ombra migliore"



-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://maillist.sys.kth.se/pipermail/gromacs.org_gmx-users/attachments/20071004/4e700eff/attachment.html>