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Hello, when executing the inform pass of rail_tpz with a certain input file, I've received the following error:
```
(base) [henrique.almeida@loginapl01 henrique.almeida]$ rail-train -a tpz train3.…
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Can we run Dask Jobqueue outside the SLURM system (e.g. on SRC) and have workers submitted to SLURM? Dask jobqueue uses `sbatch`/`scancel` to manage jobs, can one can provide custom commands that invo…
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Hello,
{future.mirai} is a dream :) Any chance we could get a minimal working example for getting this to work on a slurm cluster? I am struggling to connect the dots.
Do I need to set up the d…
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is there an analogous setting in future::plan for rmpi?
```r
library(parallel)
hello_world
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https://stackoverflow.com/questions/65402764/slurmr-trying-to-run-an-example-job-an-error-has-occurred-when-calling-silent
I setup a slurm cluster and I can issue a srun -N4 hostname just fine.
…
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Hi
and thank you for providing these vagrant files for testing open ondemand; With vagrant-with-slurm, I did experience issues when trying to bring up the two machines. Both for `vagrant up head` …
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When using H+ as the compound in a SAPT calculation it crashes with a divide by zero error:
```
File "/var/spool/slurm/d/job333055/slurm_script", line 21, in
myener = psi4.energy("sapt2+…
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### Steps to reproduce the issue
```console
$ spack install openmpi@3.1.5 %gcc@8.4.0 fabrics=verbs
==> Error: ProcessError: Command exited with status 2:
'make' '-j16'
4 errors found in b…
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Hi,
I have compiled from the sources the latest version of AutoDock-GPU on the Leonardo cluster.
I have compiled two versions.
The first with DEVICE= CUDA and NUMWI=256 and the second with DEVICE=O…