radical-collaboration / extasy-grlsd

Repository to hold the input data and scripts for the ExTASY gromacs-lsdmap work
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module load error #80

Closed euhruska closed 6 years ago

euhruska commented 6 years ago

When I load these modules standalone, I have no issues.

module swap PrgEnv-cray PrgEnv-gnu ||  (echo "pre_exec failed"; false) || exit
module load bwpy/1.2.5 ||  (echo "pre_exec failed"; false) || exit
module add bwpy-mpi 

but with entk it leads to STDERR:

ModuleCmd_Switch.c(179):ERROR:152: Module 'PrgEnv-cray' is currently not loaded
bwpy/1.2.5(16):ERROR:150: Module 'bwpy/1.2.5' conflicts with the currently loaded module(s) 'bwpy/1.2.4'
bwpy/1.2.5(16):ERROR:102: Tcl command execution failed: conflict bwpy

Why is there a difference? I didn't load any bwpy/1.2.4 before in that unit so where did it come from? This is non-fatal

vivek-bala commented 6 years ago

Probably a default when you log into BW. Try:

module unload bwpy/1.2.4
module load bwpy/1.2.5

or

module swap bwpy/1.2.4 bwpy/1.2.5

Same for #81

euhruska commented 6 years ago

hmm, it;s a fix, but when I run standalone ob bw this doesn't happen

vivek-bala commented 6 years ago

Did you try standalone on the login node or the compute node? They might have different environments.

euhruska commented 6 years ago

I tested it with on a small job on compute node