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Materials Studio

Token Consumption

 Functionality  Feature name  Token weight
Materials Visualizer
MS_visualizer 1
Adsorption 
 MS_adsorption 2
Amorphous Cell
MS_amorphouscell
2
 Blends  MS_blends 2
CASTEP
MS_castep
4
 CASTEP Parallel
MS_castep
6
 NMR CASTEP
 MS_castep_nmr  2
 NMR CASTEP Parallel
MS_castep_nmr_MP
3
 COMPASS MS_compass
2
 COMPASS Parallel
MS_compass_MP
3
 Conformers MS_conformers
2
DFTB+
 MS_dftbplus 2
Discover
 MS_discover 4
Discover Parallel
 MS_discover_MP 6
 DMol3 Molecular
 MS_dmol 2
DMol3 Molecular Parallel
MS_dmol_MP
3
DMol3 Solid State
MS_dsolid
2
DMol3 Solid State Paralell
MS_dsolid_MP
3
Equilibria
MS_equilibria
2
Forcite
MS_forcite
1
 Forcite Plus
MS_forciteplus
1
Gaussian
MS_gaussian
1
GULP
MS_gulp
2
GULP Parallel
MS_gulp_MP
3
MesoDyn
MS_mesodyn
2
 MesociteMS_mesocite
2
Morphology
MS_morphology
2
Motif
MS_motif
1
ONETEP
MS_onetep
7
Polymorph
MS_polymorph
7
QMERA
MS_qmera
2
QSAR
MS_qsar
DESC1
GeneticAlgorithm
MS_vampdescriptors
2
1
1
1
 QSAR Plus
MS_NNET
MS_dmol3descriptors
MS_qsar
DESC1
GeneticAlgorithm
MS_vampdescriptors
 2
2
2
1
1
1
 ReflexMS_reflex
1
 Reflex Plus
MS_powdersolve
4
Reflex QPA
MS_reflex_qpa
2
 SorptionMS_sorption
2
Synthia
MS_synthia
1
VAMP
MS_vamp
1
 X-CellMS_xcell
2

TroubleShooting the Gateway Timeout error

First the story: I was trying to run the packing utility of the amorphous cell module but always ended up with the following popup window:

Gateway Timeout

A request to the gateway timeout.

Attempting to connect.

 

Increate the gateway timeout setting

from the server console to reduce the

frequency of this message

 

Press "Cancel" to abort

the connection attempt...

 

After I pressed "Cancel" to dismiss the popup window I got another popup, this time from the packing job:

Job:  [I7IXB] - 1styrene packing

Program: AC

Gateway: My Computer

Status:  communication failure

As you can see, I was running the job locally. It also seemed that the job failed.

 

After I pressed "OK" to dissmiss the popup, I had to deal with yet another popup, which says:

Server Busy

This action cannot be completed because the other program is busy. Choose 'Switch To' to activate the

busy program and correct the problem.

My options to dismiss this popup were to click in the following buttons:

1- 'Switch To'. I had no idea which is that "other program" the popup referred to. If I clicked in 'Switch To' all I got was the start menu of my Windows 7, big help!

2- 'Retry'. No good, the popup didn't go.

3- 'Cancel' No good, this button was not event activated, so it was not an option

Conclusion: There was no way to dismiss this popup, I endedup with the session blocked. My only option was to kill MS from the Windows Task Manager. A seven hour job down the drain...

The annoyance didn't end up here. It turned out I was greeted with the same popup if I restarted Materials Studio. It didn't help if I stopped or restarted the Materials Studio Gateway service. The only "solution" I found was to log out from windows. After I logged in, I opened MS and looked at the job. It did seem that the packing job finished OK, even though I got that "communication failure" error. Here's the end of the log file for the job

Task terminated                 : Fri Jul 04 21:08:05 2014

Total CPU time used             : 7:50:38 hours

 Termination status              : Normal


Now the solution to the previous Calvary:

Tools -> Server Console -> Server Management -> Server Gateways -> My Computer -> Properties -> Connection tab -> Timeout

I changed the value from 10seconds to 5minutes. Ha!