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Dear CCL Users, I am running three layer and two layer (separately) ONIOM calculations in Gaussian 09 for the same job my input file for two layer calculation is below; %mem=2386MW %nprocshared=8 # opt=(calcfc,quadmac,ts,modredundant,noeigen,maxcycle=50000) freq=noraman oniom(pm6:uff) maxdisk=20GB geom=connectivity scf=maxcycle=50000 But the job terminates with the following error message LAPACK or BLAS routine DSYEVD set Info= -5. Bad arguments to LAPack or BLAS routine. Error termination via Lnk1e in /opt/prog/g09/l103.exe Can anyone please help me in overcoming this problem. Thanks in advance. With my best regards, Vildan Enisoğlu Atalay Doctoral student at Marmara University, Istanbul Windows 7: Size en uygun bilgisayarı bulun. Daha fazla bilgi edinin. |