[Pw_forum] Bug report: Segmentation Fault while vc-relax

[小S]

Dear QE developers:
Hello. Thank you for the excellent work of QE, it is truely a very nice and powerful 1st-principle software.
I have tested QE 4.3a for 2 weeks. It is exciting with TDDFPT, although it can only calculate GAMMA point now. However, when I used pw.x to find ground state via vc-relax method, the segmentation fault occurred while reading or wrting k-points. Sometimes it occurred after one or two scf circles, sometimes even at the beginning of forming k-grid.
My system is Red Hat Enterprise Linux 6 Server x86_64. MPICH2 is used for MPI environment. FFTW3 has been installed. This problem happened both in AMD Athlon2 x2 and Intel i7 PC.
I tried to degrade QE 4.3a to QE 4.2, then the vc-relax worked well with same input file.
Looking forward the stable version of QE 4.3, and hoping that TDDFPT can calculate multi-kpoints.
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ZrGe
CMC Lab, MSE, Seoul Nat'l Univ., Seoul, S.Korea
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