<html><body style="word-wrap: break-word; -webkit-nbsp-mode: space; -webkit-line-break: after-white-space; ">Dear all,
<div><br class="webkit-block-placeholder"></div><div>we have been trying to compile GROMACS-3.3.2 on a BG/L with blrts_XL compilers.</div><div><br class="webkit-block-placeholder"></div><div>These are the configure options we used:</div><div><br class="webkit-block-placeholder"></div><div>./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</div><div><br class="webkit-block-placeholder"></div><div>Configure works without apparent problems, but during the make we obtain the following error:</div><div><br></div><div><div>make[5]: Entering directory `/home/b04/gspsp/gromacs-3.3.2/src/gmxlib/nonbonded/nb_kernel'</div><div>blrts_xlc -DHAVE_CONFIG_H -I. -I../../../../src -c -o mknb.o mknb.c</div><div>blrts_xlc -DHAVE_CONFIG_H -I. -I../../../../src -c -o mknb_metacode.o mknb_metacode.c</div><div>blrts_xlc -DHAVE_CONFIG_H -I. -I../../../../src -c -o mknb_common.o mknb_common.c</div><div>blrts_xlc -DHAVE_CONFIG_H -I. -I../../../../src -c -o mknb_declarations.o mknb_declarations.c</div><div>blrts_xlc -DHAVE_CONFIG_H -I. -I../../../../src -c -o mknb_outerloop.o mknb_outerloop.c</div><div>blrts_xlc -DHAVE_CONFIG_H -I. -I../../../../src -c -o mknb_innerloop.o mknb_innerloop.c</div><div>blrts_xlc -DHAVE_CONFIG_H -I. -I../../../../src -c -o mknb_interactions.o mknb_interactions.c</div><div>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</div><div>rm -f kernel-stamp</div><div>./mknb -software_invsqrt -fortran</div><div>>>> Gromacs nonbonded kernel generator (-h for help)</div><div>>>> Generating single precision functions in Fortran77.</div><div>>>> Using Gromacs software version of 1/sqrt(x).</div><div>Error: Cannot open nb_kernel010_f.f for writing.</div><div>make[5]: *** [kernel-stamp] Error 1</div><div>make[5]: Leaving directory `/home/b04/gspsp/gromacs-3.3.2/src/gmxlib/nonbonded/nb_kernel'</div><div>make[4]: *** [all-recursive] Error 1</div><div>make[4]: Leaving directory `/home/b04/gspsp/gromacs-3.3.2/src/gmxlib/nonbonded'</div><div>make[3]: *** [all-recursive] Error 1</div><div>make[3]: Leaving directory `/home/b04/gspsp/gromacs-3.3.2/src/gmxlib'</div><div>make[2]: *** [all-recursive] Error 1</div><div>make[2]: Leaving directory `/home/b04/gspsp/gromacs-3.3.2/src'</div><div>make[1]: *** [all] Error 2</div><div>make[1]: Leaving directory `/home/b04/gspsp/gromacs-3.3.2/src'</div><div>make: *** [all-recursive] Error 1</div><div><br class="webkit-block-placeholder"></div><div>Same problem if we try to compile without fortran.</div><div><br class="webkit-block-placeholder"></div><div>**If we use XL instead of blrts_XL compilers, the compilation works properly**</div><div><br class="webkit-block-placeholder"></div><div>Any suggestion?</div><div><br class="webkit-block-placeholder"></div><div>Thanks in advance and best regards,</div><div>Ivano</div></div><div>--</div><div><span class="Apple-style-span" style="border-collapse: separate; border-spacing: 0px 0px; color: rgb(0, 0, 0); font-family: Helvetica; font-size: 12px; font-style: normal; font-variant: normal; font-weight: normal; letter-spacing: normal; line-height: normal; text-align: auto; -khtml-text-decorations-in-effect: none; text-indent: 0px; -apple-text-size-adjust: auto; text-transform: none; orphans: 2; white-space: normal; widows: 2; word-spacing: 0px; "><div>Ivano Eberini</div><div>Gruppo di Studio per la Proteomica e la Struttura delle Proteine</div><div>Dipartimento di Scienze Farmacologiche</div><div>Università degli Studi di Milano</div><div>Via Giuseppe Balzaretti, 9</div><div>20133 - Milano</div><div>tel.: +39-02-50318395, fax: +39-02-50318284</div><div><br class="khtml-block-placeholder"></div><div>"Quelli che scavano il sole, cercando un'ombra migliore"</div><div><br class="khtml-block-placeholder"></div><br class="Apple-interchange-newline"></span> </div><br></body></html>