On Sun, 2015-03-08 at 22:49 +0100, Carlo Nervi wrote: > Anyone know whether the -D__FFTW3 flag is incompatible with > fftw-3.3.4?
it shouldn't, as long as the interface of FFTW v.3 hasn't changed in recent versions > pw.x seems to run ok. > if I compile with the -D__FFTW flag (i.e. without FFTW3), efg runs > okay. funny problem, unfortunately hard to pinpoint. There is nothing special in the fft call in "get_smooth_density": it's the same call that works in pw.x. Just in case: try to replace the automatic array complex(dp) :: psic(dffts%nnr) with an allocatable array. Sometimes large automatic arrays fill the stack and cause strange crash. Paolo > > 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 carlo.ne...@unito.it Tel:+39 0116707507/8 > Fax: +39 0116707855 - Dipartimento di Chimica, via > P. Giuria 7, 10125 Torino, Italy. http://lem.ch.unito.it/ > _______________________________________________ > Pw_forum mailing list > Pw_forum@pwscf.org > http://pwscf.org/mailman/listinfo/pw_forum -- Paolo Giannozzi, Dept. Chemistry&Physics&Environment, Univ. Udine, via delle Scienze 208, 33100 Udine, Italy Phone +39-0432-558216, fax +39-0432-558222 _______________________________________________ Pw_forum mailing list Pw_forum@pwscf.org http://pwscf.org/mailman/listinfo/pw_forum