VASP gives an "FFTMPI: Increase NMAXM to 4608" message and exits
Posted: Thu Apr 26, 2012 7:43 am
I was doing some calculations on a slab model to find out the proper thickness for the slab. When I increases the number of atoms from 60 to 68, VASP gave me this error then exited.
I have made it sure with "diff" command that all other files (INCAR, KPOINTS, POTCAR) are unchanged. I only made the z-vector longer and added 8 more atoms.
Could anyone tell me how to fix this problem? Thanks.
I have made it sure with "diff" command that all other files (INCAR, KPOINTS, POTCAR) are unchanged. I only made the z-vector longer and added 8 more atoms.
Could anyone tell me how to fix this problem? Thanks.