Calculator plug slow with multiple processes

User 37df300f74

10-02-2011 16:27:36

Hi support team,

We wrapped Marvin clogP calculator into our script under Linux. Recently it was found by our user that if you run the same script multiple times (for example 5 times) concurrently, it will take very long time (5 mins or more ) to finish calculation for 10 molecules. For test purpose, if you add "sleep 10" between the script call, it finishes quickly without apparent delay. My guess is that if 5 processes are started in the same time and each one is checking license files, maybe some racing condition is generated and result the delay.

here is the dummy command we use

/../../clogP.sh /../../../10molecule.smi >result.txt1 2>1 &

/../../clogp.sh /../../../10molecules.smi >result2 2>1 &

How the license is handled and do you lock the license file during calculation until it finished?

Thanks

Hongzhou

ChemAxon e08c317633

14-02-2011 15:40:42

Hi Hongzhou,

We cannot reproduce this error. In fact, if we run 5 cxcalc processes concurrently then it's faster than running them one by one.

Sequential run:

$ date ; cxcalc logp nci100.smiles >/dev/null ; cxcalc logp nci100.smiles >/dev/null ; cxcalc logp nci100.smiles >/dev/null ; cxcalc logp nci100.smiles >/dev/null ; cxcalc logp nci100.smiles >/dev/null ; date
Mon Feb 14 16:37:03 CEST 2011
Mon Feb 14 16:37:16 CEST 2011

Total running time: 13 s (CPU usage: ~80-100%)

Concurrent run:

$ date ; cxcalc logp nci100.smiles >/dev/null & cxcalc logp nci100.smiles >/dev/null & cxcalc logp nci100.smiles >/dev/null & cxcalc logp nci100.smiles >/dev/null & cxcalc logp nci100.smiles >/dev/null & wait ; date
Mon Feb 14 16:37:20 CEST 2011
[1] 360
[2] 1268
[3] 1108
[4] 2480
[5] 1744
[1]   Done                    cxcalc logp nci100.smiles > /dev/null
[3]   Done                    cxcalc logp nci100.smiles > /dev/null
[4]-  Done                    cxcalc logp nci100.smiles > /dev/null
[5]+  Done                    cxcalc logp nci100.smiles > /dev/null
[2]+  Done                    cxcalc logp nci100.smiles > /dev/null
Mon Feb 14 16:37:29 CEST 2011

Total running time: 9 s (CPU usage: ~100%)

I run these tests on Windows 7 (64 bit) + cygwin.

Could you run these commands with your input files on your system?

I don't think we lock the license file.

Zsolt