I recompiled FFTW 2.1.5 using the --enable-type-prefix option and now the configure of Gromacs 3.2.1 succeeds.
However, now the make fails with the following error, any suggestions? if /bin/sh ../../libtool --mode=compile icc -DHAVE_CONFIG_H -I. -I. -I../../src -I/usr/X11R6/include -I../../include -DGMXLIBDIR=\"/share/apps/gromac s/intel/gromacs-3.2.1-s64/share/top\" -I/share/apps/intel/cce/9.1.042/include -I/share/apps/fftw/intel/fftw-2.1.5-s64/include -I/usr/local/include -I/ usr/include/libxml2 -O3 -I/usr/include/libxml2 -MT widget.lo -MD -MP -MF ".deps/widget.Tpo" \ -c -o widget.lo `test -f 'widget.c' || echo './'`widget.c; \ then mv -f ".deps/widget.Tpo" ".deps/widget.Plo"; \ else rm -f ".deps/widget.Tpo"; exit 1; \ fi icc -DHAVE_CONFIG_H -I. -I. -I../../src -I/usr/X11R6/include -I../../include -DGMXLIBDIR=\"/share/apps/gromacs/intel/gromacs-3.2.1-s64/share/top\" -I/ share/apps/intel/cce/9.1.042/include -I/share/apps/fftw/intel/fftw-2.1.5-s64/include -I/usr/local/include -I/usr/include/libxml2 -O3 -I/usr/include/li bxml2 -MT widget.lo -MD -MP -MF .deps/widget.Tpo -c widget.c -o widget.o /bin/sh ../../libtool --mode=link icc -O3 -I/usr/include/libxml2 -L/share/apps/intel/cce/9.1.042/lib -L/share/apps/fftw/intel/fftw-2.1.5-s64/lib -L/ usr/X11R6/lib -o libgmx.la -rpath /share/apps/gromacs/intel/gromacs-3.2.1-s64/x86_64-unknown-linux-gnu/lib -version-info 3:0:0 3dview.lo atomprop.lo block_tx.lo bondfree.lo calcgrid.lo calch.lo confio.lo copyrite.lo disre.lo do_fit.lo enxio.lo ewald_util.lo fatal.lo ffscanf.lo filenm.lo futil.lo gb util.lo fnbf.lo gmxfio.lo ifunc.lo index.lo cinvsqrtdata.lo invblock.lo macros.lo orires.lo main.lo maths.lo matio.lo mshift.lo mvdata.lo mvxvf.lo nam es.lo network.lo nrama.lo nrjac.lo nrnb.lo pargs.lo pbc.lo pdbio.lo princ.lo rando.lo random.lo gmx_random.lo rbin.lo readinp.lo replace.lo rmpbc.lo s hift_util.lo sortwater.lo smalloc.lo stat.lo statutil.lo strdb.lo string2.lo symtab.lo tpxio.lo trnio.lo trxio.lo txtdump.lo typedefs.lo viewit.lo wgm s.lo wman.lo writeps.lo xdrd.lo xtcio.lo xvgr.lo detectcpu.lo libxdrf.lo vec.lo dihres.lo xmlio.lo innerf.lo f77_wrappers.lo mgmx.lo widget.lo -L/usr/ X11R6/lib64 -lnsl -lsrfftw -lsfftw -lXm -lXt -lSM -lICE -lXext -lXp -lX11 -lxml2 -lz -lpthread -lm -L/share/apps/intel/cce/9.1.042/lib -L/share/ap ps/fftw/intel/fftw-2.1.5-s64/lib -L/usr/X11R6/lib" -L/usr/X11R6/lib -L/share/apps/intel/fce/9.1.036/lib -L/usr/lib/gcc/x86_64-redhat-linux/3.4.6/ -L/u sr/lib/gcc/x86_64-redhat-linux/3.4.6/../../../../lib64 -lsvml -lifport -lifcore -limf -lm -lipgo -lirc -lgcc_s -lirc_s -ldl /bin/sh: -c: line 0: unexpected EOF while looking for matching `"' /bin/sh: -c: line 1: syntax error: unexpected end of file make[3]: *** [libgmx.la] Error 2 make[3]: Leaving directory `/home/makeuser/tmp/gromacs/gromacs-3.2.1_s64/gromacs-3.2.1/src/gmxlib' make[2]: *** [all-recursive] Error 1 make[2]: Leaving directory `/home/makeuser/tmp/gromacs/gromacs-3.2.1_s64/gromacs-3.2.1/src' make[1]: *** [all] Error 2 make[1]: Leaving directory `/home/makeuser/tmp/gromacs/gromacs-3.2.1_s64/gromacs-3.2.1/src' make: *** [all-recursive] Error 1 Making install in src make[1]: Entering directory `/home/makeuser/tmp/gromacs/gromacs-3.2.1_s64/gromacs-3.2.1/src' Making install in gmxlib make[2]: Entering directory `/home/makeuser/tmp/gromacs/gromacs-3.2.1_s64/gromacs-3.2.1/src/gmxlib' /bin/sh ../../libtool --mode=link icc -O3 -I/usr/include/libxml2 -L/share/apps/intel/cce/9.1.042/lib -L/share/apps/fftw/intel/fftw-2.1.5-s64/lib -L/ usr/X11R6/lib -o libgmx.la -rpath /share/apps/gromacs/intel/gromacs-3.2.1-s64/x86_64-unknown-linux-gnu/lib -version-info 3:0:0 3dview.lo atomprop.lo block_tx.lo bondfree.lo calcgrid.lo calch.lo confio.lo copyrite.lo disre.lo do_fit.lo enxio.lo ewald_util.lo fatal.lo ffscanf.lo filenm.lo futil.lo gb util.lo fnbf.lo gmxfio.lo ifunc.lo index.lo cinvsqrtdata.lo invblock.lo macros.lo orires.lo main.lo maths.lo matio.lo mshift.lo mvdata.lo mvxvf.lo nam es.lo network.lo nrama.lo nrjac.lo nrnb.lo pargs.lo pbc.lo pdbio.lo princ.lo rando.lo random.lo gmx_random.lo rbin.lo readinp.lo replace.lo rmpbc.lo s hift_util.lo sortwater.lo smalloc.lo stat.lo statutil.lo strdb.lo string2.lo symtab.lo tpxio.lo trnio.lo trxio.lo txtdump.lo typedefs.lo viewit.lo wgm s.lo wman.lo writeps.lo xdrd.lo xtcio.lo xvgr.lo detectcpu.lo libxdrf.lo vec.lo dihres.lo xmlio.lo innerf.lo f77_wrappers.lo mgmx.lo widget.lo -L/usr/ X11R6/lib64 -lnsl -lsrfftw -lsfftw -lXm -lXt -lSM -lICE -lXext -lXp -lX11 -lxml2 -lz -lpthread -lm -L/share/apps/intel/cce/9.1.042/lib -L/share/ap ps/fftw/intel/fftw-2.1.5-s64/lib -L/usr/X11R6/lib" -L/usr/X11R6/lib -L/share/apps/intel/fce/9.1.036/lib -L/usr/lib/gcc/x86_64-redhat-linux/3.4.6/ -L/u sr/lib/gcc/x86_64-redhat-linux/3.4.6/../../../../lib64 -lsvml -lifport -lifcore -limf -lm -lipgo -lirc -lgcc_s -lirc_s -ldl /bin/sh: -c: line 0: unexpected EOF while looking for matching `"' /bin/sh: -c: line 1: syntax error: unexpected end of file make[2]: *** [libgmx.la] Error 2 make[2]: Leaving directory `/home/makeuser/tmp/gromacs/gromacs-3.2.1_s64/gromacs-3.2.1/src/gmxlib' make[1]: *** [install-recursive] Error 1 make[1]: Leaving directory `/home/makeuser/tmp/gromacs/gromacs-3.2.1_s64/gromacs-3.2.1/src' make: *** [install-recursive] Error 1 -----Original Message----- From: [EMAIL PROTECTED] [mailto:[EMAIL PROTECTED] On Behalf Of Mike Hanby Sent: Thursday, January 18, 2007 2:44 PM To: Discussion list for GROMACS users Subject: [gmx-users] Gromacs 3.2.1: catastrophic error: could not opensource file "sfftw.h" Howdy, One of my users requested that I compile Gromacs 3.2.1 on our system. I've already compiled and installed 3.3.1 and 3.3 on this system. When I compile 3.2.1, I get the error during config: 'catastrophic error: could not open source file "sfftw.h"' At first I figured Gromacs 3.2.1 must require FFTW 2.1.5 (I have 3.1.2 on the system) so I compiled it and reran the Gromacs 3.2.1 configure. Same error. I searched all of my fftw directories, and I don't see this file anywhere. I'm guessing that the s in sfftw.h stands for single precision? If that's the case, I compiled single precision and double precision versions of fftw in their own separate directories (where single precisions are named fftw.h and doubles are dfftw.h). If that's the case, can I resolve this by simply creating a link called sfftw.h pointing to fftw.h? Also, do I have to use fftw 2.1.5 for Gro 3.2.1, or can I use fftw 3? Thanks, Mike _______________________________________________ gmx-users mailing list [email protected] http://www.gromacs.org/mailman/listinfo/gmx-users Please don't post (un)subscribe requests to the list. Use the www interface or send it to [EMAIL PROTECTED] Can't post? Read http://www.gromacs.org/mailing_lists/users.php _______________________________________________ gmx-users mailing list [email protected] http://www.gromacs.org/mailman/listinfo/gmx-users Please don't post (un)subscribe requests to the list. Use the www interface or send it to [EMAIL PROTECTED] Can't post? Read http://www.gromacs.org/mailing_lists/users.php
