So I ran configure for serial again:
$ ./configure gnu
Checking for updates...
AmberTools12 is up to date
Amber12 is up to date
Searching for python2... Found python2.6: /usr/bin/python2.6
Obtaining the gnu suite version:
gcc -v
The version is 4.4.6
Testing the gcc compiler:
gcc -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE -o testp testp.c
OK
Testing the gfortran compiler:
gfortran -O0 -o testp testp.f
OK
Testing mixed C/Fortran compilation:
gcc -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE -c -o testp.c.o testp.c
gfortran -O0 -c -o testp.f.o testp.f
gcc -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE -o testp
testp.c.o testp.f.o -lgfortran -w
OK
Testing pointer size:
gcc -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE -o
test_pointer_size test_pointer_size.c
Detected 64 bit operating system.
Testing flex: OK
Configuring NetCDF (may be time-consuming)...
Error: NetCDF configure returned 1
NetCDF configure failed! Check the netcdf_config.log file
in the /gpfs-biou/yf4/chem/amber12/AmberTools/src directory.
Continuing anyway, but NetCDF will be skipped.
Checking for zlib: OK
Checking for libbz2: OK
Configuring fftw-3.3 (may be time-consuming)...
Error: FFTW configure returned 77
FFTW configure failed! Check the fftw3_config.log file
in the /gpfs-biou/yf4/chem/amber12/AmberTools/src diretory.
Configure failed due to the errors above!
I can successfully compile netcdf and fftw individually. Can I avoid
the test of fftw and netcdf in configure? Or there is a better way?
Thanks,
Yubo
On Mon, May 28, 2012 at 3:45 PM, case <case.biomaps.rutgers.edu> wrote:
> On Mon, May 28, 2012, Yubo Fan wrote:
>>
>> I tried to compile Amber 12 on a IBM POWER 7 cluster but there is no
>> configuration available for IBM P7 in Amber 12 package. I also tried
>> to duplicate the xlf_suse configuration in Amber 10 to Amber 12 but I
>> failed figure out all correct parameters.
>
> How do you know that you failed to figure out the correct parameters? Does
> the suite compile OK in serial mode? What errors do you see? You probably
> should post your config.h file and the problems is produces, starting with
> serial mode.
>
> ....dac
>
>
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Received on Mon May 28 2012 - 19:00:02 PDT
