Hi all -
I'm finding that Arp/Warp is crashing when I try to run a job. I was
working on a challenging molecular replacement job where I though Arp
tracing the fragmentary density could do a better job than I could by
hand (this turned out to be true, by the way). I was testing different
parameters, and running a few flex-warp jobs in parallel. They would
crash at different cycles of the building and refinement, but always at
the same point in the cycle. Looking at the error messages in the log
files led to this one, in the last HmainPept log file to be written:
Density interpolation: points 10539450
0.00 CPU 2 Elapsed Superposition
11394 rotations have been done, total 46821
0.00 CPU 1 Elapsed Rotations
2009 flipped peptides are taken
end_tag_cputime
=========================
data send to stderr:
forrtl: severe (64): input conversion error, unit 15, file
/Users/matt_franklin/bin/arp_warp_7.1/fort.15
Image PC Routine Line Source
hmain 00106F9F Unknown Unknown Unknown
hmain 001063CB Unknown Unknown Unknown
hmain 000CCD30 Unknown Unknown Unknown
hmain 0009217B Unknown Unknown Unknown
hmain 0009192A Unknown Unknown Unknown
hmain 000B35C8 Unknown Unknown Unknown
hmain 000B0C79 Unknown Unknown Unknown
hmain 00012A35 Unknown Unknown Unknown
real 11.60
user 11.51
sys 0.08
I think what's happening here is that I had multiple jobs running
simultaneously, and they were all trying to read and write to the same
fort.15 file. As you can see, this file is in Arp/Warp's main
directory, not in any of the working directories. At some random point,
one job would step on the other's read or write, and I'd get a crash.
Can someone confirm my guess? Is it possible to fix this bug so that
multiple flex-wARP jobs can be run in parallel? I'm running "Arp/Warp
Expert System" (i.e. flex-wARP) from ccp4i, and I don't think this is
happening with other Arp/Warp modes.
(I'll be happy to provide more logfiles, input files, etc.)
Thanks,
Matt
--
Matthew Franklin, Ph. D.
Senior Research Scientist
New York Structural Biology Center
89 Convent Avenue, New York, NY 10027
(646) 275-7165
