CHARMM Development Project Forums User Discussion & Questions Installation and Testing Error: Lookup grid exceeded bounds. Increase MEM

Hello,

I get an error related to installing c33b2 version and using GBMV method on IBM p690 machine.

58: ***** Lookup grid exceeded bounds. Increase MEM.
58: ******************************************
58: BOMLEV ( -1) IS REACHED - TERMINATING. WRNLEV IS -5
45:

To overcome, the error, I reinstalled using "medium" and a linker to increase the memory "./install.com ibmaipmp medium -bmaxdata:0x80000000".

But I still get the above error. Can anyone help me how to get rid of the above error?

Thank you. Preeti

You've completely misinterpreted the error message; MEM is an keyword option for GBMV. See gbmv.doc

Rick,

Thank you for your note. The charmm script now runs with increased MEM. Instead of default MEM=10, the code runs now with MEM=200.

I do not know what it means for the simulation that I am interested in running. Could anyone explain the implications of doing so are?

The documentation says: "MEM = Percentage extra memory beyond hypothetical calculation of table size."

I do not understand what the meaning of the above statement is.

I was trying to run it on IBM p690 machine at SDSC with MEM=200 required for successful run.
The same script(same coordinate file) runs works with MEM=10 on IBM p690 at Boston univ.

Thank you. preeti