Revision as of 21:29, 29 July 2021 by Frodo (talk | contribs) (adsf)
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This is the page about unpack-repack for ZINC-22.

The steps are

  • we build 50-mol packages, possibly on a remote machine
  • we repatriate to /nfs/exg/bespoke22/tarballs. on wynton this is:
  • unpack
become svigneron on nfs-exg
cd /export/exg/zinc22/svigneron/
cp /nfs/exg/zinc22/jjiwork/cmd1 . 
csh cmd1 H25P100_whatever.out 
  • sdi
csh sdi6.script H25
  • repack to destination
csh master-c H25 n. # let's discuss how this goes!
  • delete intermediate files
after we talk

I suggest you do everything on /nfs/exg/ until further notice.