Hi, all, I am attempting to compile Gromacs 3.3.1 on a 256 node IBM Netfinity 4500R with Redhat 8.0. I already checked the mailing lists and the web a couple of times. Below is my configuration file, the output, and the config.log. I would appreciate any input into this greatly.
Best wishes, Art I installed fftw3 with single precision and threads Here are my configuration parameters setenv MPICC 'mpicc' setenv CC 'gcc' setenv F77 'pgf77' setenv CPPFLAGS '-I/users/aroberts/fftw3/include' setenv LDFLAGS '-L/users/aroberts/fftw3/lib' ./configure --enable-mpi --program-suffix="_mpi" --prefix=/users/aroberts/gromacs_3.3.1 --exec-prefix=/users/aroberts/gromacs_3.3.1 I run it and get the following error: . .checking for int... yes checking size of int... configure: error: cannot compute sizeof (int), 77 See `config.log' for more details. *************** * config.log * *************** This file contains any messages produced by compilers while running configure, to aid debugging if configure makes a mistake. It was created by GROMACS configure 3.3.1, which was generated by GNU Autoconf 2.59. Invocation command line was $ ./configure --enable-mpi --program-suffix=_mpi --prefix=/users/aroberts/gromacs_3.3.1 --exec-prefix=/users/aroberts/gromacs_3.3.1 ## --------- ## ## Platform. ## ## --------- ## hostname = ll02 uname -m = i686 uname -r = 2.4.18-14smp uname -s = Linux uname -v = #1 SMP Wed Sep 4 12:34:47 EDT 2002 /usr/bin/uname -p = unknown /bin/uname -X = unknown /bin/arch = i686 /usr/bin/arch -k = unknown /usr/convex/getsysinfo = unknown hostinfo = unknown /bin/machine = unknown /usr/bin/oslevel = unknown /bin/universe = unknown PATH: /usr/local/pbs/bin PATH: /usr/local/pgi/linux86/bin PATH: /usr/local/nag/bin PATH: /usr/local/intel/compiler/ia32/bin PATH: /usr/local/tcltk/bin PATH: /bin PATH: /usr/bin PATH: /usr/X11R6/bin PATH: /usr/local/bin PATH: /users/aroberts/bin PATH: ./ PATH: /usr/parallel/mpich-gm.pgi/bin PATH: /users/aroberts/bin PATH: ./ ## ----------- ## ## Core tests. ## ## ----------- ## configure:1580: checking build system type configure:1598: result: i686-pc-linux-gnu configure:1606: checking host system type configure:1620: result: i686-pc-linux-gnu configure:1643: checking for a BSD-compatible install configure:1698: result: /usr/bin/install -c configure:1709: checking whether build environment is sane configure:1752: result: yes configure:1817: checking for gawk configure:1833: found /bin/gawk configure:1843: result: gawk configure:1853: checking whether make sets $(MAKE) configure:1873: result: yes configure:2036: checking how to create a ustar tar archive configure:2049: tar --version tar (GNU tar) 1.13.25 Copyright (C) 2001 Free Software Foundation, Inc. This program comes with NO WARRANTY, to the extent permitted by law. You may redistribute it under the terms of the GNU General Public License; see the file named COPYING for details. Written by John Gilmore and Jay Fenlason. configure:2052: $? = 0 configure:2092: tardir=conftest.dir && eval tar --format=ustar -chf - "$tardir" >conftest.tar tar: unrecognized option `--format=ustar' Try `tar --help' for more information. configure:2095: $? = 2 configure:2092: tardir=conftest.dir && eval pax -L -x ustar -w "$tardir" >conftest.tar configure:2095: $? = 0 configure:2099: pax -r <conftest.tar configure:2102: $? = 0 configure:2115: result: pax configure:2710: checking for C compiler version configure:2713: gcc --version </dev/null >&5 gcc (GCC) 3.2 20020903 (Red Hat Linux 8.0 3.2-7) Copyright (C) 2002 Free Software Foundation, Inc. This is free software; see the source for copying conditions. There is NO warranty; not even for MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. configure:2716: $? = 0 configure:2718: gcc -v </dev/null >&5 Reading specs from /usr/lib/gcc-lib/i386-redhat-linux/3.2/specs Configured with: ../configure --prefix=/usr --mandir=/usr/share/man --infodir=/usr/share/info --enable-shared --enable-threads=posix --disable-checking --host=i386-redhat-linux --with-system-zlib --enable-__cxa_atexit Thread model: posix gcc version 3.2 20020903 (Red Hat Linux 8.0 3.2-7) configure:2721: $? = 0 configure:2723: gcc -V </dev/null >&5 gcc: argument to `-V' is missing configure:2726: $? = 1 configure:2749: checking for C compiler default output file name configure:2752: gcc -I/users/aroberts/fftw3/include -L/users/aroberts/fftw3/lib conftest.c -L/users/aroberts/fftw3/lib -lfftw3 >&5 configure:2755: $? = 0 configure:2801: result: a.out configure:2806: checking whether the C compiler works configure:2812: ./a.out configure:2815: $? = 0 configure:2832: result: yes configure:2839: checking whether we are cross compiling configure:2841: result: no configure:2844: checking for suffix of executables configure:2846: gcc -o conftest -I/users/aroberts/fftw3/include -L/users/aroberts/fftw3/lib conftest.c -L/users/aroberts/fftw3/lib -lfftw3 >&5 configure:2849: $? = 0 configure:2874: result: configure:2880: checking for suffix of object files configure:2901: gcc -c -I/users/aroberts/fftw3/include conftest.c >&5 configure:2904: $? = 0 configure:2926: result: o configure:2930: checking whether we are using the GNU C compiler configure:2954: gcc -c -I/users/aroberts/fftw3/include conftest.c >&5 configure:2960: $? = 0 configure:2964: test -z || test ! -s conftest.err configure:2967: $? = 0 configure:2970: test -s conftest.o configure:2973: $? = 0 configure:2986: result: yes configure:2992: checking whether gcc accepts -g configure:3013: gcc -c -g -I/users/aroberts/fftw3/include conftest.c >&5 configure:3019: $? = 0 configure:3023: test -z || test ! -s conftest.err configure:3026: $? = 0 configure:3029: test -s conftest.o configure:3032: $? = 0 configure:3043: result: yes configure:3060: checking for gcc option to accept ANSI C configure:3130: gcc -c -I/users/aroberts/fftw3/include conftest.c >&5 configure:3136: $? = 0 configure:3140: test -z || test ! -s conftest.err configure:3143: $? = 0 configure:3146: test -s conftest.o configure:3149: $? = 0 configure:3167: result: none needed configure:3185: gcc -c -I/users/aroberts/fftw3/include conftest.c >&5 conftest.c:2: parse error before "me" configure:3191: $? = 1 configure: failed program was: | #ifndef __cplusplus | choke me | #endif configure:3335: checking for style of include used by make configure:3363: result: GNU configure:3391: checking dependency style of gcc configure:3481: result: gcc3 configure:3757: checking for mpxlc configure:3783: result: mpicc configure:3796: checking whether the MPI cc command works configure:3815: mpicc -o conftest -I/users/aroberts/fftw3/include -L/users/aroberts/fftw3/lib conftest.c -L/users/aroberts/fftw3/lib -lfftw3 >&5 configure:3821: $? = 0 configure:3825: test -z || test ! -s conftest.err configure:3828: $? = 0 configure:3831: test -s conftest configure:3834: $? = 0 configure:3836: result: yes configure:4720: checking how to run the C preprocessor configure:4755: mpicc -E -I/users/aroberts/fftw3/include conftest.c configure:4761: $? = 0 configure:4793: mpicc -E -I/users/aroberts/fftw3/include conftest.c conftest.c:19:28: ac_nonexistent.h: No such file or directory configure:4799: $? = 1 configure: failed program was: | /* confdefs.h. */ | | #define PACKAGE_NAME "GROMACS" | #define PACKAGE_TARNAME "gromacs" | #define PACKAGE_VERSION "3.3.1" | #define PACKAGE_STRING "GROMACS 3.3.1" | #define PACKAGE_BUGREPORT "gmx-users@gromacs.org" | #define PACKAGE "gromacs" | #define VERSION "3.3.1" | #define GMX_SOFTWARE_SQRT | #define GMX_QMMM_GAUSSIAN | #define BUILD_TIME "Thu Nov 2 01:05:30 MST 2006" | #define BUILD_USER "[EMAIL PROTECTED]" | #define BUILD_MACHINE "Linux 2.4.18-14smp i686" | #define GMX_MPI | #define F77_OR_C_FUNC(name,NAME) name | #define F77_OR_C_FUNC_(name,NAME) name | /* end confdefs.h. */ | #include <ac_nonexistent.h> configure:4838: result: mpicc -E configure:4862: mpicc -E -I/users/aroberts/fftw3/include conftest.c configure:4868: $? = 0 configure:4900: mpicc -E -I/users/aroberts/fftw3/include conftest.c conftest.c:19:28: ac_nonexistent.h: No such file or directory configure:4906: $? = 1 configure: failed program was: | /* confdefs.h. */ | | #define PACKAGE_NAME "GROMACS" | #define PACKAGE_TARNAME "gromacs" | #define PACKAGE_VERSION "3.3.1" | #define PACKAGE_STRING "GROMACS 3.3.1" | #define PACKAGE_BUGREPORT "gmx-users@gromacs.org" | #define PACKAGE "gromacs" | #define VERSION "3.3.1" | #define GMX_SOFTWARE_SQRT | #define GMX_QMMM_GAUSSIAN | #define BUILD_TIME "Thu Nov 2 01:05:30 MST 2006" | #define BUILD_USER "[EMAIL PROTECTED]" | #define BUILD_MACHINE "Linux 2.4.18-14smp i686" | #define GMX_MPI | #define F77_OR_C_FUNC(name,NAME) name | #define F77_OR_C_FUNC_(name,NAME) name | /* end confdefs.h. */ | #include <ac_nonexistent.h> configure:5337: checking whether mpicc accepts -O3 configure:5355: result: yes configure:5379: checking whether mpicc accepts -malign-double configure:5397: result: yes configure:5666: checking whether mpicc accepts -funroll-all-loops configure:5684: result: yes configure:5832: checking whether byte ordering is bigendian configure:5867: mpicc -c -I/users/aroberts/fftw3/include conftest.c >&5 configure:5873: $? = 0 configure:5877: test -z || test ! -s conftest.err configure:5880: $? = 0 configure:5883: test -s conftest.o configure:5886: $? = 0 configure:5918: mpicc -c -I/users/aroberts/fftw3/include conftest.c >&5 conftest.c: In function `main': conftest.c:34: `not' undeclared (first use in this function) conftest.c:34: (Each undeclared identifier is reported only once conftest.c:34: for each function it appears in.) conftest.c:34: parse error before "big" configure:5924: $? = 1 configure: failed program was: | /* confdefs.h. */ | | #define PACKAGE_NAME "GROMACS" | #define PACKAGE_TARNAME "gromacs" | #define PACKAGE_VERSION "3.3.1" | #define PACKAGE_STRING "GROMACS 3.3.1" | #define PACKAGE_BUGREPORT "gmx-users@gromacs.org" | #define PACKAGE "gromacs" | #define VERSION "3.3.1" | #define GMX_SOFTWARE_SQRT | #define GMX_QMMM_GAUSSIAN | #define BUILD_TIME "Thu Nov 2 01:05:30 MST 2006" | #define BUILD_USER "[EMAIL PROTECTED]" | #define BUILD_MACHINE "Linux 2.4.18-14smp i686" | #define GMX_MPI | #define F77_OR_C_FUNC(name,NAME) name | #define F77_OR_C_FUNC_(name,NAME) name | /* end confdefs.h. */ | #include <sys/types.h> | #include <sys/param.h> | | #ifdef F77_DUMMY_MAIN | | # ifdef __cplusplus | extern "C" | # endif | int F77_DUMMY_MAIN() { return 1; } | | #endif | int | main () | { | #if BYTE_ORDER != BIG_ENDIAN | not big endian | #endif | | ; | return 0; | } configure:6067: result: no configure:6091: checking for egrep configure:6101: result: grep -E configure:6106: checking for ANSI C header files configure:6139: mpicc -c -I/users/aroberts/fftw3/include conftest.c >&5 configure:6145: $? = 0 configure:6149: test -z || test ! -s conftest.err configure:6152: $? = 0 configure:6155: test -s conftest.o configure:6158: $? = 0 configure:6244: mpicc -o conftest -I/users/aroberts/fftw3/include -L/users/aroberts/fftw3/lib conftest.c -L/users/aroberts/fftw3/lib -lfftw3 >&5 configure:6247: $? = 0 configure:6249: ./conftest ./conftest: error while loading shared libraries: libgm.so.0: cannot open shared object file: No such file or directory configure:6252: $? = 127 configure: program exited with status 127 configure: failed program was: | /* confdefs.h. */ | | #define PACKAGE_NAME "GROMACS" | #define PACKAGE_TARNAME "gromacs" | #define PACKAGE_VERSION "3.3.1" | #define PACKAGE_STRING "GROMACS 3.3.1" | #define PACKAGE_BUGREPORT "gmx-users@gromacs.org" | #define PACKAGE "gromacs" | #define VERSION "3.3.1" | #define GMX_SOFTWARE_SQRT | #define GMX_QMMM_GAUSSIAN | #define BUILD_TIME "Thu Nov 2 01:05:30 MST 2006" | #define BUILD_USER "[EMAIL PROTECTED]" | #define BUILD_MACHINE "Linux 2.4.18-14smp i686" | #define GMX_MPI | #define F77_OR_C_FUNC(name,NAME) name | #define F77_OR_C_FUNC_(name,NAME) name | /* end confdefs.h. */ | #include <ctype.h> | #if ((' ' & 0x0FF) == 0x020) | # define ISLOWER(c) ('a' <= (c) && (c) <= 'z') | # define TOUPPER(c) (ISLOWER(c) ? 'A' + ((c) - 'a') : (c)) | #else | # define ISLOWER(c) (('a' <= (c) && (c) <= 'i') || ('j' <= (c) && (c) <= 'r') || ('s' <= (c) && (c) <= 'z')) | # define TOUPPER(c) (ISLOWER(c) ? ((c) | 0x40) : (c)) | #endif | | #define XOR(e, f) (((e) && !(f)) || (!(e) && (f))) | int | main () | { | int i; | for (i = 0; i < 256; i++) | if (XOR (islower (i), ISLOWER (i)) | || toupper (i) != TOUPPER (i)) | exit(2); | exit (0); | } configure:6267: result: no configure:6291: checking for sys/types.h configure:6307: mpicc -c -I/users/aroberts/fftw3/include conftest.c >&5 configure:6313: $? = 0 configure:6317: test -z || test ! -s conftest.err configure:6320: $? = 0 configure:6323: test -s conftest.o configure:6326: $? = 0 configure:6337: result: yes configure:6291: checking for sys/stat.h configure:6307: mpicc -c -I/users/aroberts/fftw3/include conftest.c >&5 configure:6313: $? = 0 configure:6317: test -z || test ! -s conftest.err configure:6320: $? = 0 configure:6323: test -s conftest.o configure:6326: $? = 0 configure:6337: result: yes configure:6291: checking for stdlib.h configure:6307: mpicc -c -I/users/aroberts/fftw3/include conftest.c >&5 configure:6313: $? = 0 configure:6317: test -z || test ! -s conftest.err configure:6320: $? = 0 configure:6323: test -s conftest.o configure:6326: $? = 0 configure:6337: result: yes configure:6291: checking for string.h configure:6307: mpicc -c -I/users/aroberts/fftw3/include conftest.c >&5 configure:6313: $? = 0 configure:6317: test -z || test ! -s conftest.err configure:6320: $? = 0 configure:6323: test -s conftest.o configure:6326: $? = 0 configure:6337: result: yes configure:6291: checking for memory.h configure:6307: mpicc -c -I/users/aroberts/fftw3/include conftest.c >&5 configure:6313: $? = 0 configure:6317: test -z || test ! -s conftest.err configure:6320: $? = 0 configure:6323: test -s conftest.o configure:6326: $? = 0 configure:6337: result: yes configure:6291: checking for strings.h configure:6307: mpicc -c -I/users/aroberts/fftw3/include conftest.c >&5 configure:6313: $? = 0 configure:6317: test -z || test ! -s conftest.err configure:6320: $? = 0 configure:6323: test -s conftest.o configure:6326: $? = 0 configure:6337: result: yes configure:6291: checking for inttypes.h configure:6307: mpicc -c -I/users/aroberts/fftw3/include conftest.c >&5 configure:6313: $? = 0 configure:6317: test -z || test ! -s conftest.err configure:6320: $? = 0 configure:6323: test -s conftest.o configure:6326: $? = 0 configure:6337: result: yes configure:6291: checking for stdint.h configure:6307: mpicc -c -I/users/aroberts/fftw3/include conftest.c >&5 configure:6313: $? = 0 configure:6317: test -z || test ! -s conftest.err configure:6320: $? = 0 configure:6323: test -s conftest.o configure:6326: $? = 0 configure:6337: result: yes configure:6291: checking for unistd.h configure:6307: mpicc -c -I/users/aroberts/fftw3/include conftest.c >&5 configure:6313: $? = 0 configure:6317: test -z || test ! -s conftest.err configure:6320: $? = 0 configure:6323: test -s conftest.o configure:6326: $? = 0 configure:6337: result: yes configure:6349: checking for int configure:6381: mpicc -c -I/users/aroberts/fftw3/include conftest.c >&5 configure:6387: $? = 0 configure:6391: test -z || test ! -s conftest.err configure:6394: $? = 0 configure:6397: test -s conftest.o configure:6400: $? = 0 configure:6411: result: yes configure:6414: checking size of int configure:6781: mpicc -o conftest -I/users/aroberts/fftw3/include -L/users/aroberts/fftw3/lib conftest.c -L/users/aroberts/fftw3/lib -lfftw3 >&5 configure:6784: $? = 0 configure:6786: ./conftest ./conftest: error while loading shared libraries: libgm.so.0: cannot open shared object file: No such file or directory configure:6789: $? = 127 configure: program exited with status 127 configure: failed program was: | /* confdefs.h. */ | | #define PACKAGE_NAME "GROMACS" | #define PACKAGE_TARNAME "gromacs" | #define PACKAGE_VERSION "3.3.1" | #define PACKAGE_STRING "GROMACS 3.3.1" | #define PACKAGE_BUGREPORT "gmx-users@gromacs.org" | #define PACKAGE "gromacs" | #define VERSION "3.3.1" | #define GMX_SOFTWARE_SQRT | #define GMX_QMMM_GAUSSIAN | #define BUILD_TIME "Thu Nov 2 01:05:30 MST 2006" | #define BUILD_USER "[EMAIL PROTECTED]" | #define BUILD_MACHINE "Linux 2.4.18-14smp i686" | #define GMX_MPI | #define F77_OR_C_FUNC(name,NAME) name | #define F77_OR_C_FUNC_(name,NAME) name | #define HAVE_SYS_TYPES_H 1 | #define HAVE_SYS_STAT_H 1 | #define HAVE_STDLIB_H 1 | #define HAVE_STRING_H 1 | #define HAVE_MEMORY_H 1 | #define HAVE_STRINGS_H 1 | #define HAVE_INTTYPES_H 1 | #define HAVE_STDINT_H 1 | #define HAVE_UNISTD_H 1 | /* end confdefs.h. */ | #include <stdio.h> | #if HAVE_SYS_TYPES_H | # include <sys/types.h> | #endif | #if HAVE_SYS_STAT_H | # include <sys/stat.h> | #endif | #if STDC_HEADERS | # include <stdlib.h> | # include <stddef.h> | #else | # if HAVE_STDLIB_H | # include <stdlib.h> | # endif | #endif | #if HAVE_STRING_H | # if !STDC_HEADERS && HAVE_MEMORY_H | # include <memory.h> | # endif | # include <string.h> | #endif | #if HAVE_STRINGS_H | # include <strings.h> | #endif | #if HAVE_INTTYPES_H | # include <inttypes.h> | #else | # if HAVE_STDINT_H | # include <stdint.h> | # endif | #endif | #if HAVE_UNISTD_H | # include <unistd.h> | #endif | long longval () { return (long) (sizeof (int)); } | unsigned long ulongval () { return (long) (sizeof (int)); } | #include <stdio.h> | #include <stdlib.h> | #ifdef F77_DUMMY_MAIN | | # ifdef __cplusplus | extern "C" | # endif | int F77_DUMMY_MAIN() { return 1; } | | #endif | int | main () | { | | FILE *f = fopen ("conftest.val", "w"); | if (! f) | exit (1); | if (((long) (sizeof (int))) < 0) | { | long i = longval (); | if (i != ((long) (sizeof (int)))) | exit (1); | fprintf (f, "%ld\n", i); | } | else | { | unsigned long i = ulongval (); | if (i != ((long) (sizeof (int)))) | exit (1); | fprintf (f, "%lu\n", i); | } | exit (ferror (f) || fclose (f) != 0); | | ; | return 0; | } configure:6799: error: cannot compute sizeof (int), 77 See `config.log' for more details. ## ---------------- ## ## Cache variables. ## ## ---------------- ## ac_cv_build=i686-pc-linux-gnu ac_cv_build_alias=i686-pc-linux-gnu ac_cv_c_bigendian=no ac_cv_c_compiler_gnu=yes ac_cv_env_CC_set=set ac_cv_env_CC_value=gcc ac_cv_env_CFLAGS_set=set ac_cv_env_CFLAGS_value= ac_cv_env_CPPFLAGS_set=set ac_cv_env_CPPFLAGS_value=-I/users/aroberts/fftw3/include ac_cv_env_CPP_set= ac_cv_env_CPP_value= ac_cv_env_CXXCPP_set= ac_cv_env_CXXCPP_value= ac_cv_env_CXXFLAGS_set= ac_cv_env_CXXFLAGS_value= ac_cv_env_CXX_set= ac_cv_env_CXX_value= ac_cv_env_F77_set=set ac_cv_env_F77_value=pgf77 ac_cv_env_FFLAGS_set=set ac_cv_env_FFLAGS_value= ac_cv_env_LDFLAGS_set=set ac_cv_env_LDFLAGS_value=-L/users/aroberts/fftw3/lib ac_cv_env_build_alias_set= ac_cv_env_build_alias_value= ac_cv_env_host_alias_set= ac_cv_env_host_alias_value= ac_cv_env_target_alias_set= ac_cv_env_target_alias_value= ac_cv_exeext= ac_cv_header_inttypes_h=yes ac_cv_header_memory_h=yes ac_cv_header_stdc=no ac_cv_header_stdint_h=yes ac_cv_header_stdlib_h=yes ac_cv_header_string_h=yes ac_cv_header_strings_h=yes ac_cv_header_sys_stat_h=yes ac_cv_header_sys_types_h=yes ac_cv_header_unistd_h=yes ac_cv_host=i686-pc-linux-gnu ac_cv_host_alias=i686-pc-linux-gnu ac_cv_objext=o ac_cv_path_install='/usr/bin/install -c' ac_cv_prog_AWK=gawk ac_cv_prog_CPP='mpicc -E' ac_cv_prog_MPICC=mpicc ac_cv_prog_cc_g=yes ac_cv_prog_cc_stdc= ac_cv_prog_egrep='grep -E' ac_cv_prog_make_make_set=yes ac_cv_type_int=yes am_cv_CC_dependencies_compiler_type=gcc3 am_cv_prog_tar_ustar=pax ## ----------------- ## ## Output variables. ## ## ----------------- ## ACLOCAL='${SHELL} /users/aroberts/gromacs-3.3.1/config/missing --run aclocal-1.9' AMDEPBACKSLASH='\' AMDEP_FALSE='#' AMDEP_TRUE='' AMTAR='${SHELL} /users/aroberts/gromacs-3.3.1/config/missing --run tar' AR='' AS='' ASFLAGS='' AUTOCONF='${SHELL} /users/aroberts/gromacs-3.3.1/config/missing --run autoconf' AUTOHEADER='${SHELL} /users/aroberts/gromacs-3.3.1/config/missing --run autoheader' AUTOMAKE='${SHELL} /users/aroberts/gromacs-3.3.1/config/missing --run automake-1.9' AWK='gawk' CC='mpicc' CCAS='' CCASFLAGS='' CCDEPMODE='depmode=gcc3' CC_FOR_BUILD='gcc' CFLAGS='' CPP='mpicc -E' CPPFLAGS='-I/users/aroberts/fftw3/include' CXX='' CXXCPP='' CXXDEPMODE='' CXXFLAGS='' CYGPATH_W='echo' DEFS='' DEPDIR='.deps' DLLTOOL='' ECHO='echo' ECHO_C='' ECHO_N='-n' ECHO_T='' EGREP='grep -E' EXEEXT='' F77='pgf77' F77LINK='$(LINK)' FFLAGS='' FLIBS='' GMXANA_LIBOBJS='' GMXLIB_LIBOBJS='' GMX_DOUBLE_FALSE='' GMX_DOUBLE_TRUE='#' GMX_EXTERNAL_BLAS_FALSE='' GMX_EXTERNAL_BLAS_TRUE='#' GMX_EXTERNAL_LAPACK_FALSE='' GMX_EXTERNAL_LAPACK_TRUE='#' GMX_FORTRAN_FALSE='' GMX_FORTRAN_TRUE='#' GMX_IA32_3DNOW_FALSE='' GMX_IA32_3DNOW_TRUE='' GMX_IA32_SSE2_FALSE='' GMX_IA32_SSE2_TRUE='' GMX_IA32_SSE_FALSE='' GMX_IA32_SSE_TRUE='' GMX_IA64_ASM_DOUBLE_FALSE='' GMX_IA64_ASM_DOUBLE_TRUE='' GMX_IA64_ASM_SINGLE_FALSE='' GMX_IA64_ASM_SINGLE_TRUE='' GMX_PPC_ALTIVEC_FALSE='' GMX_PPC_ALTIVEC_TRUE='' GMX_PREFETCH_FORCES_FALSE='' GMX_PREFETCH_FORCES_TRUE='#' GMX_SOFTWARE_SQRT_FALSE='#' GMX_SOFTWARE_SQRT_TRUE='' GMX_THREAD_FALSE='' GMX_THREAD_TRUE='#' GMX_X86_64_SSE2_FALSE='' GMX_X86_64_SSE2_TRUE='' GMX_X86_64_SSE_FALSE='' GMX_X86_64_SSE_TRUE='' INCLUDES='' INSTALL_DATA='${INSTALL} -m 644' INSTALL_PROGRAM='${INSTALL}' INSTALL_SCRIPT='${INSTALL}' INSTALL_STRIP_PROGRAM='${SHELL} $(install_sh) -c -s' LDFLAGS='-L/users/aroberts/fftw3/lib' LIBOBJS='' LIBS='-L/users/aroberts/fftw3/lib -lfftw3' LIBSUFFIX='' LIBTOOL='' LN_S='' LTLIBOBJS='' MAKEINFO='${SHELL} /users/aroberts/gromacs-3.3.1/config/missing --run makeinfo' MDLIB_LIBOBJS=' qm_gaussian.lo' MPICC='mpicc' OBJDUMP='' OBJEXT='o' PACKAGE='gromacs' PACKAGE_BUGREPORT='gmx-users@gromacs.org' PACKAGE_NAME='GROMACS' PACKAGE_STRING='GROMACS 3.3.1' PACKAGE_TARNAME='gromacs' PACKAGE_VERSION='3.3.1' PATH_SEPARATOR=':' RANLIB='' RPM='' SET_MAKE='' SHARED_VERSION_INFO='4:0:0' SHELL='/bin/sh' STRIP='' USE_X11_FALSE='' USE_X11_TRUE='' VERSION='3.3.1' X_CFLAGS='' X_EXTRA_LIBS='' X_LIBS='' X_PRE_LIBS='' ac_ct_AR='' ac_ct_AS='' ac_ct_CC='' ac_ct_CXX='' ac_ct_DLLTOOL='' ac_ct_F77='' ac_ct_OBJDUMP='' ac_ct_RANLIB='' ac_ct_STRIP='' am__fastdepCC_FALSE='#' am__fastdepCC_TRUE='' am__fastdepCXX_FALSE='' am__fastdepCXX_TRUE='' am__include='include' am__leading_dot='.' am__quote='' am__tar='pax -L -x ustar -w "$$tardir"' am__untar='pax -r' bindir='${exec_prefix}/bin' build='i686-pc-linux-gnu' build_alias='' build_cpu='i686' build_os='linux-gnu' build_vendor='pc' datadir='${prefix}/share' exec_prefix='/users/aroberts/gromacs_3.3.1' host='i686-pc-linux-gnu' host_alias='' host_cpu='i686' host_os='linux-gnu' host_vendor='pc' includedir='${prefix}/include' infodir='${prefix}/info' install_sh='/users/aroberts/gromacs-3.3.1/config/install-sh' libdir='${exec_prefix}/lib' libexecdir='${exec_prefix}/libexec' localstatedir='${prefix}/var' mandir='${prefix}/man' mkdir_p='mkdir -p --' oldincludedir='/usr/include' prefix='/users/aroberts/gromacs_3.3.1' program_transform_name='s,$$,_mpi,' sbindir='${exec_prefix}/sbin' sharedstatedir='${prefix}/com' sysconfdir='${prefix}/etc' target_alias='' ## ----------- ## ## confdefs.h. ## ## ----------- ## #define BUILD_MACHINE "Linux 2.4.18-14smp i686" #define BUILD_TIME "Thu Nov 2 01:05:30 MST 2006" #define BUILD_USER "[EMAIL PROTECTED]" #define F77_OR_C_FUNC(name,NAME) name #define F77_OR_C_FUNC_(name,NAME) name #define GMX_MPI #define GMX_QMMM_GAUSSIAN #define GMX_SOFTWARE_SQRT #define HAVE_INTTYPES_H 1 #define HAVE_MEMORY_H 1 #define HAVE_STDINT_H 1 #define HAVE_STDLIB_H 1 #define HAVE_STRINGS_H 1 #define HAVE_STRING_H 1 #define HAVE_SYS_STAT_H 1 #define HAVE_SYS_TYPES_H 1 #define HAVE_UNISTD_H 1 #define PACKAGE "gromacs" #define PACKAGE_BUGREPORT "gmx-users@gromacs.org" #define PACKAGE_NAME "GROMACS" #define PACKAGE_STRING "GROMACS 3.3.1" #define PACKAGE_TARNAME "gromacs" #define PACKAGE_VERSION "3.3.1" #define VERSION "3.3.1" configure: exit 1 . 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