Thank you very much. I was able to get the configure to run successfully.
On Tue, May 4, 2010 at 9:46 AM, David Watson <dewatson.olemiss.edu> wrote:
> On May 4, 2010, at 8:18 AM, Emily Curtis wrote:
>
> > 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:*
> >
>
> Apart from the other advice which has been provided, you must execute the
> following either on the command-line or in your ~/.bash_profile prior to
> compiling AT:
> export AMBERHOME=/path/to/amber
> In your case:
> export AMBERHOME=/Users/emily/amber11/amber11
>
> In my case, I decided to place everything in /usr/local/amber11 although
> one could argue that it is safer from a Software Update point of view to
> place amber in your home or in /opt.
> Please start by reviewing the suggestions at amberonmac.blogspot.com.
>
> You probably will not find much difference in performance to use gcc vs icc
> for most projects involving ambertools.
> Things should be very straightforward with gcc.
>
> > 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
>
>
> _______________________________________________
> AMBER mailing list
> AMBER.ambermd.org
> http://lists.ambermd.org/mailman/listinfo/amber
>
_______________________________________________
AMBER mailing list
AMBER.ambermd.org
http://lists.ambermd.org/mailman/listinfo/amber
Received on Tue May 04 2010 - 11:00:04 PDT
