1 ion of mercury will displace a thousand ions of zinc, as we know this from mercurial diuretics prescribed back in the day, exerting their effect of the carbonic anhydrase enzyme in the kidneys, resulting in pissing out butt loads of zinc...

Noticed that at 3:15 you used the qsub command, which will no longer work for this purpose. Rather, you should use $ srun --x11 --pty bash which will work.

thank you so much for this tutorial, love you

Thanks for the tutorial, very helpful!

I like your terminal, how is it called? I love the transparency

Nice video. I'm glad i saw this video before I got too invested in a single tool.

thank you

Great video.

Thank you. It helped me in learning

I was looking on how to install a module :/

Great to see how to run GNU Parallel on a PBS-cluster. @15:00 $PBS_NODEFILE repeats the hostname for each core reserved. GNU Parallel, however, ignores this the repeats. It detects the number of cores on the host . @20:50 There is no need to quote spaces. You only need to quote special shell characters (such as '>'). @22:45 Also try: '--workdir $PBS_O_WORKDIR'. This will make GNU Parallel 'cd' to '$PBS_O_WORKDIR' before running the command.

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#!/bin/bash #PBS -l nodes=2:ppn=8 #PBS -l walltime=00:05:00 #PBS -N G16_AcetylChloride #PBS -j oe #PBS -m bae #PBS -M [email protected] module load gaussian/g16 # To get more messages from Linda export GAUSS_LFLAGS="-v" INPUT_MOLECULE=$PBS_O_WORKDIR/AcetylChloride.com OUTPUT_FILE=$PBS_O_WORKDIR/AcetylChloride.log # Reformat the PBS nodefile so Gaussian understands it export GAUSS_WDEF=$(cat $PBS_NODEFILE | uniq | sed -z 's/ /,/g;s/,$/ /') # Tell Linda how many cores there are per node export GAUSS_PDEF=$PBS_NUM_PPN # Run Gaussian on the input file specified above g16 $INPUT_MOLECULE $OUTPUT_FILE

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