[AMBER] Error with make test after installing Amber14 and AmberTools15

From: A K <adk194.outlook.com>
Date: Thu, 18 Jul 2019 00:30:05 +0000


I tried to install Amber14 and AmberTools15 on an old Red Hat Enterprise Linux 5 computer by following the instructions in the "Basic AmberTools 15 + Amber 14 install (Serial)" section at this page: http://jswails.wikidot.com/installing-amber14-and-ambertools14

After following the instructions for that step, I ran into an error when I typed: "make test".

Below is the error I got:

 [A.metis amber14]$ make test
(cd AmberTools/test && make test)
make[1]: Entering directory `/usr/local/amber14/AmberTools/test'
Traceback (most recent call last):
  File "<stdin>", line 18, in ?
  File "/usr/local/amber14/lib/python2.7/site-packages/chemistry/__init__.py",
line 22, in ?
    from chemistry import openmm
  File "/usr/local/amber14/lib/python2.7/site-packages/chemistry/openmm/__init__.py",
line 5, in ?
    from chemistry.openmm.reporters import (
  File "/usr/local/amber14/lib/python2.7/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 `/usr/local/amber14/AmberTools/test'
make: *** [test.serial] Error 2

How can I fix this? On the computer that I am installing this on, all I want to do is run MMPSA.py or MMPBSA.py.MPI. So, if I can't get the make test command to work, should it still be okay if I try to run MMPSA.py?
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Received on Wed Jul 17 2019 - 18:00:02 PDT
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