Issues with Mogul from CSDS 2014

Mogul speed tests

2014 CSDS mogul is on average 2.5 times as slow as 2013

Comparing 2014 Mogul installed on local disk with 2013 Mogul installed on local disk. Conclusion 2014 Mogul is on average 2.5 times as slow as 2013. But cpu still in seconds and quite usable by grade and buster report

For most ligands there is no problem using mogul from NFS (v4)

For the great majority of ligands it makes little difference whether Mogul is installed on NFS (v4) or a local disk.

But there are outliers where using CSDS NFS (v4) results in slow runs

The same graph as previous but expanded to show the outliers

Which ligands show the NFS slow down problem?

ligand id ligand image CPU seconds 2013local,2014local,2013nfs,2014nfs
548 (Pfizer compound) 11.9,37.2,58.2,425.1
287 (Bristol-Myers Squibb) 12.3,39.6,55.5,408.4
219 7.8,28.4,120.4,330.6
205 9.9,23.3,105.6,317.5
STU 11.1,37.7,150.0,593.7

Page original version 7th January 2014, Updated 1st May 2014. Address problems, corrections and clarifications to