On Fri, 2014-03-14 at 12:53 -0400, Wook Lee wrote:
> Dear AMBER users,
>
> I have a problem with Ambertools 1.5 installation.
Why not install AmberTools 13 instead? The install process is MUCH
easier...
> I am using openSUSE 13.1, and it seemed fine until I configured it using
> ./configure gnu.
> However, I got an error message below when I ran make install.
>
> Using AmberTools' python
> Error importing cpinutil.py python modules! cpinutil will not work.
> make[1]: *** [python] Error 1
> make[1]: Leaving directory `/usr/local/amber11/AmberTools/src/etc'
> make: *** [serial] Error 2
>
> So, I configured again with ./configure -nopython gnu, and now I got
> another error message below.
>
> gcc -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE -DBINTRAJ \
> -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
> /usr/local/amber11//lib/libpdb.a /usr/local/amber11//lib/arpack.a
> /usr/local/amber11//lib/lapack.a /usr/local/amber11//lib/blas.a
> -lgfortran /usr/local/amber11//lib/libnetcdf.a -lm
> gcc: error: /usr/local/amber11//lib/libnetcdf.a: No such file or directory
> make[1]: *** [rdparm] Error 1
> make[1]: Leaving directory `/usr/local/amber11/AmberTools/src/ptraj'
> make: *** [serial] Error 2
>
> Any help would be appreciated.
All of these errors suggest to me that there are residual files left
over from a previous installation attempt. I would suggest starting
over completely (wipe out /usr/local/amber11 and extract the original
tarballs).
I put up instructions for installing AmberTools 1.5 + Amber 11, but the
CUDA code from Amber 11 is no longer supported:
http://jswails.wikidot.com/installing-amber11-and-ambertools-1-5
If none of this works, the prevailing advice is to upgrade to AmberTools
13.
HTH,
Jason
--
Jason M. Swails
BioMaPS,
Rutgers University
Postdoctoral Researcher
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Received on Fri Mar 14 2014 - 10:30:03 PDT
