Problems with frequency calculations


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That error is indicating that you do not have enough global memory to allocate the array g_dens2. It appears that array is dimensioned (12*natoms)x(nbf)x(nbf), where natoms is the number of atoms in your system and nbf is the number of basis functions. You would need to increase your global memory sufficiently in order to accommodate the necessary arrays. Alternatively, you could force a numerical calculation of the Hessian, which would require less memory but would definitely take more time.