Dear QE users, for some strange reasons I have problems in runnin gipaw.x on the quartz test/example. NMR calculations runs ok, but not efg. efg calculation always exit with "Segmentation fault" error. I'm using the library fftw-3.3.4 locally compiled. Anyone know whether the -D__FFTW3 flag is incompatible with fftw-3.3.4? pw.x seems to run ok. if I compile with the -D__FFTW flag (i.e. without FFTW3), efg runs okay.
Here is the output of the gipaw.x version with FFTW3 : Program received signal SIGSEGV: Segmentation fault - invalid memory reference. Backtrace for this error: #0 0x2B60E935E78F #1 0x2B60E935ED84 #2 0x2B60E9FFDE6F #3 0x969808 in n1bv_9 at n1bv_9.c:0 #4 0x9CEA57 in apply at direct.c:0 #5 0x9CB476 in apply_dit at ct.c:0 #6 0x895ECD in apply at vrank-geq1.c:0 #7 0x9CAE17 in apply at buffered.c:0 #8 0x895A16 in apply at rank-geq2.c:0 #9 0x895ECD in apply at vrank-geq1.c:0 #10 0x6B7DE2 in __fft_scalar_MOD_cft_2xy #11 0x6B3864 in __fft_parallel_MOD_tg_cft3s #12 0x6B14A3 in invfft_x_ #13 0x49899B in get_smooth_density_ #14 0x499292 in efg_ #15 0x44EBD4 in MAIN__ at gipaw_main.f90:0 [1]+ Segmentation fault gipaw.x -in quartz-efg.in > quartz-efg.out Thankx, Carlo -- ------------------------------------------------------------ Prof. Carlo Nervi [email protected] Tel:+39 0116707507/8 Fax: +39 0116707855 - Dipartimento di Chimica, via P. Giuria 7, 10125 Torino, Italy. http://lem.ch.unito.it/
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