[Pw_forum] Problems in gipaw EFG calculations

[Carlo Nervi]

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 carlo.nervi at unito.it  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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