Open GoogleCodeExporter opened 9 years ago
What steps will reproduce the problem? 1. start ./geom in in the EXAMPLE/geom 2. Both gfortran and ifort are affected by the bug 3. Bug exists in both Linux and MacOS ./ggeom in Detected Geometry Free Format. ================================================================ Basic real space geometry info Crystal atomic basis 0 0.0000000 0.0000000 0.0000000 Basis cell vectors 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1000.0000000 Supercell vectors (fractionary unit) 4 0 0 0 4 0 0 0 1 Super-Lattice vectors (cartesian) 4.0000000 0.0000000 0.0000000 0.0000000 4.0000000 0.0000000 0.0000000 0.0000000 1000.0000000 ================================================================ Real space lattice Number of orbitals in primitive cell: 1 Total number of orbitals: 16 index label type X Y Z 0 s0 0 0.00000 0.00000 0.00000 1 s0 0 1.00000 0.00000 0.00000 2 s0 0 2.00000 0.00000 0.00000 3 s0 0 3.00000 0.00000 0.00000 4 s0 0 0.00000 1.00000 0.00000 5 s0 0 1.00000 1.00000 0.00000 6 s0 0 2.00000 1.00000 0.00000 7 s0 0 3.00000 1.00000 0.00000 8 s0 0 0.00000 2.00000 0.00000 9 s0 0 1.00000 2.00000 0.00000 10 s0 0 2.00000 2.00000 0.00000 11 s0 0 3.00000 2.00000 0.00000 12 s0 0 0.00000 3.00000 0.00000 13 s0 0 1.00000 3.00000 0.00000 14 s0 0 2.00000 3.00000 0.00000 15 s0 0 3.00000 3.00000 0.00000 ================================================================ Bonds (from input) 1 1 0 0.0000000 0.0000000 0.0000000 2 2 0 1.0000000 0.0000000 0.0000000 3 -2 0 -1.0000000 -0.0000000 -0.0000000 4 3 0 1.0000000 1.0000000 0.0000000 5 -3 0 -1.0000000 -1.0000000 -0.0000000 6 4 0 0.0000000 1.0000000 0.0000000 7 -4 0 -0.0000000 -1.0000000 -0.0000000 8 5 0 -1.0000000 1.0000000 0.0000000 9 -5 0 1.0000000 -1.0000000 -0.0000000 Wave coefficients 1 2 3 4 5 6 7 8 9 s-wave 1.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 s*-wave 0.00000 0.50000 0.50000 0.00000 0.00000 0.50000 0.50000 0.00000 0.00000 s**-wave 0.00000 0.00000 0.00000 0.50000 0.50000 0.00000 0.00000 0.50000 0.50000 d-wave 0.00000 0.50000 0.50000 0.00000 0.00000 -0.50000 -0.50000 0.00000 0.00000 d*-wave 0.00000 0.00000 0.00000 0.50000 0.50000 0.00000 0.00000 -0.50000 -0.50000 ============================================================================ Warning: gamma wasn't initialized, used default setting. Warning: accept wasn't initialized, used default setting. Warning: reject wasn't initialized, used default setting. Warning: HSFtype wasn't initialized, used default setting. Warning: delta1 wasn't initialized, used default setting. Warning: delta2 wasn't initialized, used default setting. Warning: ssxx wasn't initialized, used default setting. Warmup Sweep, nwrap : 10 15 Warmup Sweep, nwrap : 20 15 Warmup Sweep, nwrap : 30 15 Warmup Sweep, nwrap : 40 15 Warmup Sweep, nwrap : 50 15 Warmup Sweep, nwrap : 60 15 Warmup Sweep, nwrap : 70 15 Warmup Sweep, nwrap : 80 15 Warmup Sweep, nwrap : 90 15 Warmup Sweep, nwrap : 100 15 Measurement Sweep, bin, iter, slice : 1 1 20 Program received signal SIGSEGV: Segmentation fault - invalid memory reference. Backtrace for this error: #0 0x7FA72855C117 #1 0x7FA72855C6F4 #2 0x7FA727C970AF #3 0x43FD85 in __dqmc_tdm1_MOD_dqmc_tdm1_compute #4 0x4405E2 in __dqmc_tdm1_MOD_dqmc_tdm1_meas #5 0x40282E in MAIN__ at ggeom.F90:? [1] 15356 segmentation fault (core dumped) ./ggeom in
Original issue reported on code.google.com by iglovi...@gmail.com on 2 Oct 2013 at 7:58
iglovi...@gmail.com
Original issue reported on code.google.com by
iglovi...@gmail.comon 2 Oct 2013 at 7:58