[AMBER] Question about running AMBER on a mac

From: Emily Curtis <emilymariecurtis.gmail.com>
Date: Tue, 4 May 2010 09:18:52 -0400

Hi. I am trying to install ambertools on a mac. I installed MacPorts and I
have the intel version of the ifort compiler to compile fortran. Do I still
need to install gfortran?

*When I try to run "./compile gnu" I get the following error messages:*

Emily-Curtis-MacBook-Pro:src emily$ ./configure gnu
Your AMBERHOME environment variable should be set to
/Users/emily/amber11/amber11


Obtaining the gnu suite version:
      gcc -v
The version is 4.2.1

Testing the gcc compiler:
     gcc -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE -o testp testp.c
OK

Validating the C++ compiler version:
     g++ -v
The version is 4.2.1
OK

Testing the gfortran compiler:
     gfortran -O0 -o testp testp.f
./configure: line 1019: gfortran: command not found
./configure: line 1020: ./testp: No such file or directory
Unable to compile a Fortran program using gfortran -O0
We will be unable to compile sqm

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
./configure: line 1054: gfortran: command not found
     gcc -o testp testp.c.o testp.f.o -lgfortran
i686-apple-darwin10-gcc-4.2.1: testp.f.o: No such file or directory
./configure: line 1057: ./testp: No such file or directory
WARNING: Unable to compile mixed C/Fortran code.

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.
    Continuing but NetCDF will be skipped.

Configuring fftw-2.1.5; (may be time-consuming)

    Error: fftw configure returned 1
    fftw configure failed! Check the fftw2_config.log file.





*If I try to run using "./configure intel" I get the following error
messages:*

Emily-Curtis-MacBook-Pro:src emily$ ./configure intel
Your AMBERHOME environment variable should be set to
/Users/emily/amber11/amber11

./configure: line 571: [: : integer expression expected
./configure: line 600: [: : integer expression expected

Testing the icc compiler:
     icc -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE -o testp testp.c
./configure: line 966: icc: command not found
./configure: line 967: ./testp: No such file or directory
Error: Unable to compile a C program using icc -D_FILE_OFFSET_BITS=64
-D_LARGEFILE_SOURCE
    Please check your compiler settings or configure flags.
Emily-Curtis-MacBook-Pro:src emily$






Thank you for any help.

Emily
_______________________________________________
AMBER mailing list
AMBER.ambermd.org
http://lists.ambermd.org/mailman/listinfo/amber
Received on Tue May 04 2010 - 06:30:05 PDT
Custom Search