Posted by Ivan Cernusak on January 22, 2010 at 18:37:20:
I have bigger calculation of non-symmetric molecule HO.H.CHI2, with 460 basis functions, 123 electrons and MOTRA crashes with the message
RdOrd: too small buffer
Buffer size is lBuf = 65536
Size of submatrix klB= 106030
and return code is 97.
I was running the job in 16GB memory and enough disk space (job used ~200GB for disk files).
Is it beyond molcas capacity or can overcome it via re-installing MOTRA?
Ivan