Hi all,
I recently cobbled together my first python script for xplor-nih. I found
that while I could run the the code on a single processor just fine, I was
unable to run it successfully on multiple processors. For example, in the
eginput/dock_dipolar_chemshift directory:
pyXplor -parallel -machines local2 < dock_tor_rigid.py
or
xplor -py -parallel -machines local2 < dock_tor_rigid.py
(local2 is a file containing 'localhost' on two lines - using my local
execution patch from a few days ago)
The xplor.log files contain the following:
File "<string>", line 1, in ?
IOError: [Errno 2] No such file or directory: '<'
PyInterp::command: error executing: execfile('<')
I tried to debug this but have no idea what's going on. Parallel
computations using xplor in traditional mode work just fine. I found that
by invoking without redirected output alleviates the problem:
pyXplor -parallel -machines local2 dock_tor_rigid.py
Any ideas on why this might be happening? I checked the commands that the
xplor script is generating, and if you run them separately, they work
fine. Also, introducing a delay into the execution of the separate
processes doesn't seem to help. I've verified this behavior on ia64 and
x86 linux.
Thanks,
-Greg Zornetzer
[email protected]
