On Sat, May 4, 2013 at 8:16 PM, Chinthaka Ratnaweera <cnr88.msstate.edu>wrote:
> When I directly used gnu compilers it gave the following error. Then as
> instructed I used '-nofftw3' flag. This shows the gcc version.
>
> ......
> Checking for updates...
> Checking for available patches online. This may take a few seconds...
>
> Available AmberTools 13 patches:
>
> No patches available
> Searching for python2... Found python2.5:
> /usr/local/MGLTools-1.5.1/mgltools_i86Linux2_1.5.1/bin/python2.5
>
> Obtaining the gnu suite version:
> gcc -v
> The version is 4.1.2
> ERROR: RISM and PBSA FFT solver require version 4.3 or higher of the GNU
> compiler.
> Please re-run configure with the '-nofftw3' flag to use this
> compiler:
> ./configure -nofftw3 gnu
>
>
> .........................................................................................
>
> I commented MKL_HOME environment variable, but still the compilation is not
> complete.. Final part of the error msg are as follows.
>
> -- Warning: Obsolete: arithmetic IF statement at (1)
> In file pubfft.F90:290
>
> if (nr) 101,105,101
> 1
> Warning: Obsolete: arithmetic IF statement at (1)
> gcc -c -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE -DBINTRAJ -DHASGZ
> -DHASBZ2 -I/home/srg/nadun/ambertools/amber12/include -o cluster.o
> cluster.c
> gcc -c -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE -DBINTRAJ -DHASGZ
> -DHASBZ2 -I/home/srg/nadun/ambertools/amber12/include -o clusterLib.o
> clusterLib.c
> gcc -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE -DBINTRAJ -DHASGZ
> -DHASBZ2 \
> -o rdparm main.o rdparm.o dispatch.o help.o utility.o
> second.o io.o trajectory.o netcdf_ptraj.o parallel_ptraj.o evec.o torsion.o
> mask.o rms.o display.o interface.o energy.o experimental.o ptraj.o
> actions.o analyze.o thermo.o pubfft.o cluster.o clusterLib.o
> -L/home/srg/nadun/ambertools/amber12/lib -lpdb -larpack -llapack -lblas
> -lgfortran -w -L/home/srg/nadun/ambertools/amber12/lib -lnetcdf -lm
> /usr/bin/ld: cannot find -lnetcdf
>
Is there a file /home/srg/nadun/ambertools/amber12/lib/libnetcdf.a ?
--
Jason M. Swails
Quantum Theory Project,
University of Florida
Ph.D. Candidate
352-392-4032
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Received on Sat May 04 2013 - 20:30:02 PDT
