Iresh Gallindawatte

6 Questions 19 Answers 0 Followers

Questions related from Iresh Gallindawatte

How to fix MEMDDI and MWORDS allocations in MP2 calculations using GAMESS..?

I try to run a MP2 calculation and I end up with the following, Error ENOSPC: The number of shared memory identifiers for the node has been reached. I ran exetyp=check and I used those values...

29 March 2017 8,308 7 View

How to fix ORCA_GTOInt error?

I am new to ORCA and I just ran a shown test in a tutorial. However, I got an error as follows, "ORCA finished by error termination in ORCA_GTOInt" Please help to resolve it. Thank You.

25 February 2017 8,610 18 View

How to do a population analysis for the TDDFT calculations..?

I want to know how to perform a population analysis using GAMESS for TDDFT calculations , Thank You,

25 February 2016 4,951 7 View

How can I fix optimization aborted due gradient out of range in gamess?

When I run the input file I have this error as follows, OPTIMIZATION ABORTED. -- GRADIENT OUT OF RANGE -- MAXIMUM ALLOWED FORCE (FMAXT) = 10.000 EXECUTION OF GAMESS TERMINATED -ABNORMALLY- AT Thu...

03 December 2015 2,823 8 View

What is the distance between two graphene layers?

I want to know the reference value between two consecutive graphene layers as the distance between the upper and the immediate below Carbon atom. Thank you,

09 November 2015 7,747 7 View

How can I increase the memory allocation of gamess using the keyword as MWORD?

when I suppose to run a .inp file using GAMESS it fails with saying as not enough memory allocation there is solution to use the keyword typing on avogadro but it didn't work ,plz help

22 December 2014 9,508 4 View