Hi all,
I am trying to compile amber12 on a cray-system. For the serial compilation
everything is fine and the make.test serial runs fine without any issues.
For the mpi-compilation I do have some problems getting it to work fine. I
generate the config.h file using the following syntax:
./configure -noX11 -nobintraj -crayxt5 -mpi pgi
>From the test-run I get the following output:
Obtaining the PGI suite version:
pgcc -V
The version is 12.4-0
Testing the cc compiler:
cc -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE -o testp testp.c
OK
Testing the ftn compiler:
ftn -O1 -o testp testp.f
OK
Testing mixed C/Fortran compilation:
cc -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE -c -o testp.c.o testp.c
ftn -O1 -c -o testp.f.o testp.f
cc -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE -o testp testp.c.o
testp.f.o -pgf90libs
OK
Testing pointer size:
cc -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE -o test_pointer_size
test_pointer_size.c
Detected 64 bit operating system.
Testing flex: OK
Checking for zlib: OK
Checking for libbz2: OK
Configuring fftw-3.3 for mdgx (may be time-consuming)...
fftw-3.3 configure succeeded.
The configuration file, config.h, was successfully created.
The next step is to type 'make install'
Cleaning the src directories. This may take a few moments.
Configure complete.
and the compilation ends with the following error
AT12/amber12/bin/mpinab -c dna3.nab
nab2c failed!
make[2]: *** [dna3.o] Error 1
I have seen it on the list but I did not find the solution to it. I have
tried to compile directly like this
mpinab -c dna3.nab
and no new file is generated as asked for in the thread with the same
issue. Any help much appreciated
Thanks
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Received on Thu Jul 11 2013 - 12:30:03 PDT
