Hi, I'm Eduardo. Greetings.
I can't test the CUDA, OpenMP ou MPI+CUDA installation. (make test.xxxx).
I have the Amber14 and AmberTools15, and followed the Amber 2015 Reference
Manual and
http://jswails.wikidot.com/installing-amber14-and-ambertools14.
When I use the options:
1. ./configure -mpi -cuda gnu
2. ./configure -mpi -openmp gnu
3. ./configure -openmp gnu
4. ./configure -cuda gnu
In these cases, the make option doesn't create the folder "lib/python2.6/".
The folder is created only using the option "./configure -mpi".
In all cases I set the AMBERHOME correctly and I load the amber.sh script.
Only -mpi option creates the python modules. Is this right?
-----
CUDA:
# make test.cuda
(cd test && make test.cuda)
make[1]: Entering directory `/usr/local/amber/cuda/amber14/test'
./test_amber_clean.sh
./test_amber_cuda.sh
Could not import Amber Python modules. This likely means
that your Amber Python environment was not set up correctly
We recommend adding the line:
test -f /usr/local/amber/cuda/amber14/amber.sh && source
/usr/local/amber/cuda/amber14/amber.sh (sh/bash/zsh)
or
test -f /usr/local/amber/cuda/amber14/amber.csh && source
/usr/local/amber/cuda/amber14/amber.csh (csh/tcsh)
to your login shell resource file (e.g., ~/.bashrc or ~/.cshrc)
make[1]: *** [test.cuda] Error 1
make[1]: Leaving directory `/usr/local/amber/cuda/amber14/test'
make: [test.cuda] Error 2 (ignored)
-----
Thanks, Eduardo.
--
Eduardo Almeida Costa
Analista Universitário - 73.528.957-1
NBCGIB/UESC
B.el Ciência da Computação - UESC
Msc. Genética e Biologia Molecular - UESC (Master)
Doutorando Biologia e Biotecnologia de Microorganismos-
UESC-Brasil/Aberystwyth University - Wales. (Phd Student)
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Received on Tue Jun 02 2015 - 07:30:04 PDT
