[gmx-users] Re: Gromacs3.3 Compilation on IBM powerpc

[Yinghong]

Dear Erik:

I have carefully read through config.log file, and I found out some possible problems for compilation failure, could you please help me to locate the real reason and solution?

As I think, maybe this error is from xlc, but it seemed much related to "conftest.c" file, which was reported for several times as errors. 

How should I deal it with? By the way, I have passed through the compilation of single version. The following errors were from MPI compilation. Of course, I only added a "--enable-mpi" flag when compling MPI version, as described in the last email.


config.log:
...
...
...
## ----------- ##
## Core tests. ##
## ----------- ##
...
...
configure:2586: checking for C compiler version
configure:2589: xlc --version </dev/null >&5
xlc: 1501-216 command option --version is not recognized - passed to ld
...
...
...
configure:2806: checking whether we are using the GNU C compiler
configure:2830: xlc -c -O3 -qarch=pwr4 -qtune=pwr4 -qansialias -w -I/afs/ipp-garching.mpg.de/home/x/xieyh/fftw_213/include conftest.c >&5
"conftest.c", line 20.14: 1506-275 (S) Unexpected text me encountered.
"conftest.c", line 20.8: 1506-045 (S) Undeclared identifier choke.
configure:2836: $? = 1
configure: failed program was:
| /* confdefs.h.  */
| 
| #define PACKAGE_NAME "GROMACS"
| #define PACKAGE_TARNAME "gromacs"
| #define PACKAGE_VERSION "3.3"
| #define PACKAGE_STRING "GROMACS 3.3"
| #define PACKAGE_BUGREPORT "gmx-users at gromacs.org"
| #define PACKAGE "gromacs"
| #define VERSION "3.3"
| #define GMX_SOFTWARE_SQRT
| #define BUILD_TIME "Mon Mar 13 08:13:33 NFT 2006"
| #define BUILD_USER "xieyh at psi24"
| #define BUILD_MACHINE "AIX 2 0010594A4C00"
| /* end confdefs.h.  */
| 
| int
| main ()
| {
| #ifndef __GNUC__
|        choke me
| #endif
| 
|   ;
|   return 0;
| }

configure:2889: xlc -c -g -I/afs/ipp-garching.mpg.de/home/x/xieyh/fftw_213/include conftest.c >&5
configure:2895: $? = 0
configure:2899: test -z 
                         || test ! -s conftest.err
...
...
configure:3061: xlc -c -O3 -qarch=pwr4 -qtune=pwr4 -qansialias -w -I/afs/ipp-garching.mpg.de/home/x/xieyh/fftw_213/include conftest.c >&5
"conftest.c", line 2.3: 1506-166 (S) Definition of function choke requires parentheses.
"conftest.c", line 2.9: 1506-046 (S) Syntax error.
configure:3067: $? = 1
configure: failed program was:
| #ifndef __cplusplus
|   choke me
| #endif
...
...
configure:4775: mpcc -E -I/afs/ipp-garching.mpg.de/home/x/xieyh/fftw_213/include conftest.c
"conftest.c", line 18.10: 1506-296 (S) #include file <ac_nonexistent.h> not found.
...
...
| #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:6705: error: cannot compute sizeof (int), 77
See `config.log' for more details.



Xie Yinghong


>Hi,
>
>Check config.log for the actual error. You might also want to make  
>sure that you can compile a small MPI test program.
>
>Cheers,
>
>Erik
>
>On Mar 13, 2006, at 8:52 PM, Yinghong wrote:
>
>> Dear users:
>>
>> I have successfully installed fftw2.1.3 and single version  
>> Gromacs3.3 on IBM powerpc Aix5.2.0.0 with the following  
>> environmental variables:
>>
>> setenv CC xlc
>> setenv MPICC mpcc
>> setenv F77 xlf
>> setenv CXX xlC
>> setenv CPPFLAGS -I.../fftw_213/include
>> setenv LDFLAGS -L.../fftw_213/lib
>> setenv CFLAGS "-O3 -qarch=pwr4 -qtune=pwr4 -qansialias -w"
>> setenv FFLAGS "-O3 -qarch=pwr4 -qtune=pwr4 -qansialias -qstrict -w"
>> Now, I would like to compile the parallel version of Gromacs3.3,  
>> and I did it as the follows:
>> 1. make disclean;
>> 2. ./configure --prefix=$HOME/gromacs33 --exec-prefix=$HOME/ 
>> gromacs33 --enable-float --disable-fortran --disable-largefile -- 
>> without-x --disable-
>> vectorized-sqrt --with-fft=fftw2 --enable-mpi --program-suffix=_mpi
>>
>> It is worthy noting that the all parameters for ./configure are the  
>> same as perviously successful single version, except that "--enable- 
>> mpi --program-suffix=_mpi" is added in compiling MPI version.  
>> However, compilation can not pass because of the following reason.  
>> If anybody encountered such an error, could you give me some  
>> suggestion? How to deal with it? Any help will be extermely  
>> appreciately.
>>
>> ...
>> ...
>> checking for style of include used by make... GNU
>> checking dependency style of xlc... none
>> checking for mpxlc... mpcc
>> checking whether the MPI cc command works... yes
>> checking how to run the C preprocessor... mpcc -E
>> ******************************************
>> * Using CFLAGS from environment variable *
>> ******************************************
>> checking whether byte ordering is bigendian... yes
>> checking for egrep... grep -E
>> checking for ANSI C header files... no
>> checking for sys/types.h... yes
>> checking for sys/stat.h... yes
>> checking for stdlib.h... yes
>> checking for string.h... yes
>> checking for memory.h... yes
>> checking for strings.h... yes
>> checking for inttypes.h... yes
>> checking for stdint.h... yes
>> checking for unistd.h... yes
>> checking for int... yes
>> checking size of int... configure: error: cannot compute sizeof  
>> (int), 77
>> See `config.log' for more details.