Hi!
Since a few weeks ago I'm running the docker for F@H and I got some issues... the first probably related to the docker, the second probably not: any help on the matter is appreciated!
1. Impossible to cleanup work folders
From time to time F@H has trouble cleaning up the work folder since a "fuse" file there and it's not removable by the application...
Here the error:
15:52:51:WU00:FS00:Cleaning up
15:52:51:ERROR:WU00:FS00:Exception: Failed to remove directory './work/00': boost::filesystem::remove: Directory not empty: "./work/00"
Here the content:
# v work/00/
total 6868
-rw-r--r-- 0 nobody users 7029760 Apr 9 17:36 .fuse_hidden0000a8d90000004b
Here the "lsof":
# lsof work/00/.fuse_hidden0000a8d90000004b
COMMAND PID USER FD TYPE DEVICE SIZE/OFF NODE NAME
FAHCoreWr 11585 nobody 8r REG 0,41 7029760 10977524093294902 work/00/.fuse_hidden0000a8d90000004b
FahCore_a 11589 nobody 8r REG 0,41 7029760 10977524093294902 work/00/.fuse_hidden0000a8d90000004b
I can manually force the deletion but it would be preferable that the system was able to do it autonomously...
Any idea?
2. WU not compatible with CPU?
At the beginning I used to get a lot of "No WUs available for this configuration" and some "gromacs" errors...
Here an example of the "gromacs" error:
05:39:44:WU01:FS00:0xa7:ERROR:-------------------------------------------------------
05:39:44:WU01:FS00:0xa7:ERROR:Program GROMACS, VERSION 5.0.4-20191026-456f0d636-unknown
05:39:44:WU01:FS00:0xa7:ERROR:Source code file: /host/debian-stable-64bit-core-a7-avx-release/gromacs-core/build/gromacs/src/gromacs/mdlib/domdec.c, line: 6902
05:39:44:WU01:FS00:0xa7:ERROR:
05:39:44:WU01:FS00:0xa7:ERROR:Fatal error:
05:39:44:WU01:FS00:0xa7:ERROR:There is no domain decomposition for 20 ranks that is compatible with the given box and a minimum cell size of 1.4227 nm
05:39:44:WU01:FS00:0xa7:ERROR:Change the number of ranks or mdrun option -rcon or -dds or your LINCS settings
05:39:44:WU01:FS00:0xa7:ERROR:Look in the log file for details on the domain decomposition
05:39:44:WU01:FS00:0xa7:ERROR:For more information and tips for troubleshooting, please check the GROMACS
05:39:44:WU01:FS00:0xa7:ERROR:website at http://www.gromacs.org/Documentation/Errors
05:39:44:WU01:FS00:0xa7:ERROR:-------------------------------------------------------
After a not-so-deep research on various forums I got that the number of available "cpus" can determine the ability of the application to organize the job... also there was some comment about using only multipliers of 6 for this "cpus" parameter... maybe I misunderstood something but I applied that workaround and limited the numbers of "cpus" that F@H can use directly from within the config.xml:
<config>
<!-- Folding Slot Configuration -->
<cpus v='18'/>
<!-- Slot Control -->
<power v='FULL'/>
<!-- User Information -->
<passkey v='***********'/>
<team v='***********'/>
<user v='***********'/>
<!-- Folding Slots -->
<slot id='0' type='CPU'/>
<!-- slot id='1' type='GPU'/ -->
</config>
This enabled me to start folding.
A note: the UnRaid machine is an AMD 3950X (16C/32T).
Another note: I also have a "service" GPU (GeForce GT 730) that never received a job so I disabled it to remove it from the UI.
Can anyone confirm this behavior?