[Octopus-users] octopus-1.4 with ifort 8.1 on SGI Altix 350
Fa-gung.Fan at xeroxlabs.com
Fri May 13 17:47:25 WEST 2005
Dear users and developers:
I compiled octopus 1.4 on an SGI Altix 350 system (running Linux) with
Intel Fortran compiler 8.1 (ifort). fftw-2.1.5 was used, and the
BLAS/Lapack in lscs library were used. The code seemed to compile OK.
When tested with /share/octopus/samples/Na2, it worked. However, with
"bench-gs" in the same directory, it terminated with a Segmentation
fault when it got to "call X(lalg_gemm)(np*dim, nset, norbs,
R_TOTYPE(M_ONE), ...)" in subroutine "lcao_wf".
Also tested with C2H2 and SiH4, it worked for these two cases as well.
Any clue why this happened?
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