runOPAL issueshttps://gitlab.psi.ch/OPAL/runOPAL/-/issues2020-05-11T11:42:10+02:00https://gitlab.psi.ch/OPAL/runOPAL/-/issues/12Inconsistent handling of queue parameter2020-05-11T11:42:10+02:00bellotti_rInconsistent handling of queue parameterThe `Simulation.run()` function takes a parameter `queue`, but it is not used on Merlin6. Instead, an environment variable `SLURM_PARTITION` is used.
This should be more consistent.
I would generally advise against the use of environme...The `Simulation.run()` function takes a parameter `queue`, but it is not used on Merlin6. Instead, an environment variable `SLURM_PARTITION` is used.
This should be more consistent.
I would generally advise against the use of environment variables in `Simulation`. Currently, it is not obvious where a setting is coming from, which environment variables may/have to be set, and what their meaning is.
I suggest to read the env variables in the command line script, and pass their values to the constructor of the class or the run method.https://gitlab.psi.ch/OPAL/runOPAL/-/issues/14Launching random samples2020-05-15T10:55:59+02:00bellotti_rLaunching random samplesIt would be very helpful to have the ability to launch random samples additionally to single simulations.
Right now, running optimisations with a Python optimiser is very inefficient because the jobs have to wait a long time in the queu...It would be very helpful to have the ability to launch random samples additionally to single simulations.
Right now, running optimisations with a Python optimiser is very inefficient because the jobs have to wait a long time in the queue. Allocating a single larger job might be more efficient.https://gitlab.psi.ch/OPAL/runOPAL/-/issues/13OpalRunner: Loading of libraries does not work2020-07-13T10:39:44+02:00bellotti_rOpalRunner: Loading of libraries does not workThe module file that should load all OPAL dependencies is not working.
This does not work:
```
module use /afs/psi.ch/project/amas/modulefiles
module load opal-toolchain/master
```
This works:
```
module use unstable
module load cmak...The module file that should load all OPAL dependencies is not working.
This does not work:
```
module use /afs/psi.ch/project/amas/modulefiles
module load opal-toolchain/master
```
This works:
```
module use unstable
module load cmake/3.9.6
module load gcc/7.3.0
module load gsl/2.5
module load openmpi/3.1.3
module load boost/1.68.0
module load hdf5/1.10.4
module load OpenBLAS/0.2.20
module load H5hut/2.0.0rc5
module load trilinos/12.12.1
```
Is this a bug in the opal-toolchain?bellotti_rbellotti_r