Hi,
install Ubuntu on your machine.
It is best suited for python.
There tutorial link these facilities:
Follow this first to install MPI for ubuntu.
http://lsi.ugr.es/~jmantas/pdp/ayuda/datos/instalaciones/Install_OpenMPI_en.pdf
http://jswails.wikidot.com/installing-amber14-and-ambertools14
Regards,
Marcelo
Marcelo Andrade Chagas, MSc
(PhD student)
Laboratório de Química Computacional e Modelagem Molecular - LQC-MM
*
http://lqcmm.qui.ufmg.br/
Departamento de Química da Universidade Federal de Minas Gerais - UFMG
Tel:(31)3409-5776
2015-10-30 16:40 GMT-02:00 Mahmoud A. A. Ibrahim <m.ibrahim.compchem.net>:
> Dear AMBER users
> Very recently, we have purchased AMBER14. I downloaded it and followed all
> instructions given in the manual to install AMBER14 on CentOS release 6.5 .
> During testing AMBER14 serial version, we got the following python-related
> error:
> --------------
> make test
> (cd AmberTools/test && make test)
> make[1]: Entering directory `/export/apps/amber14/AmberTools/test'
> ./test_at_serial.sh
>
> /export/apps/amber14/lib/python2.6/site-packages/chemistry/openmm/reporters.py:743:
> Warning: 'with' will become a reserved keyword in Python 2.6
> Traceback (most recent call last):
> File "<stdin>", line 18, in <module>
> File
> "/export/apps/amber14/lib/python2.6/site-packages/chemistry/__init__.py",
> line 22, in <module>
> from chemistry import openmm
> File
>
> "/export/apps/amber14/lib/python2.6/site-packages/chemistry/openmm/__init__.py",
> line 5, in <module>
> from chemistry.openmm.reporters import (
> File
>
> "/export/apps/amber14/lib/python2.6/site-packages/chemistry/openmm/reporters.py",
> line 743
> with open(self.fname, 'w') as f:
> ^
> SyntaxError: invalid syntax
> make[1]: *** [test] Error 1
> make[1]: Leaving directory `/export/apps/amber14/AmberTools/test'
> make: *** [test.serial] Error 2
> ----------------------------------------
>
> Our python version is:
> Python 2.6.6 (r266:84292, Jan 22 2014, 09:42:36)
> Is there a problem in using python2.6 with AMBER?
> Any kind of support will be highly appreciated.
> Thanks in advance
> Sincerely;
> M. Ibrahim
>
> --
> Mahmoud A. A. Ibrahim
> Head of CompChem Lab, Chemistry Department,
> Faculty of Science, Minia University, Minia 61519, Egypt.
> Email: m.ibrahim.compchem.net
> m.ibrahim.mu.edu.eg
> Website: www.compchem.net
> _______________________________________________
> AMBER mailing list
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> http://lists.ambermd.org/mailman/listinfo/amber
>
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Received on Fri Oct 30 2015 - 12:30:03 PDT
