Dear Jason
Thank you for your reply.
I only have AMBER 11, so I want to install Ambertools 1.5.
(As far as I found in the internet, even if I want to use Ambertools 12
or 13 with AMBER 11,
I need to install Ambertools 1.5 first.)
As for you suggestion, all the installations I tried, they all started
from scratch.
I also have been to your website and followed the instruction there,
but I still had those errors.
Is there any way to solve this problem?
Cheers,
Wook
On 03/14/2014 01:14 PM, Jason Swails wrote:
> 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
>
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Received on Fri Mar 14 2014 - 11:00:02 PDT
