does it work in serial ? with internal fftw ? it's funny because it crashes in the calculation of stress and by the time it reaches there it has done zillions ffts ... Is the output correct up to that point ? stefano
On 04/02/2011 02:38 AM, j brandon keith wrote: > Hi, I used to run quantum espresso all the time, but now when I try to > compile (old or new version), I get an error in fftw3 library...an > example is example01: > > This example shows how to use pw.x to calculate the total energy and > the band structure of four simple systems: Si, Al, Cu, Ni. > > executables directory: /home/jbk/espresso-4.3/bin > pseudo directory: /home/jbk/espresso-4.3/pseudo > temporary directory: /home/jbk/tmp > checking that needed directories and files exist... done > > running pw.x as: mpirun -np 1 /home/jbk/espresso-4.3/bin/pw.x > running bands.x as: mpirun -np 1 /home/jbk/espresso-4.3/bin/bands.x > > cleaning /home/jbk/tmp... done > running the scf calculation for Si...[zen:03240] *** Process > received signal *** > [zen:03240] Signal: Segmentation fault (11) > [zen:03240] Signal code: (128) > [zen:03240] Failing at address: (nil) > [zen:03240] [ 0] [0xb772040c] > [zen:03240] [ 1] /usr/lib/libfftw3.so.3(+0x1965a) [0xb6a6e65a] > [zen:03240] [ 2] /usr/lib/libfftw3.so.3(+0x1c217) [0xb6a71217] > [zen:03240] [ 3] /usr/lib/libfftw3.so.3(+0x1c733) [0xb6a71733] > [zen:03240] [ 4] /usr/lib/libfftw3.so.3(dfftw_execute_dft_+0x74) [0xb6b06f64] > [zen:03240] [ 5] > /home/jbk/espresso-4.3/bin/pw.x(__fft_scalar_MOD_cft_2xy+0xf38) > [0x81f5448] > [zen:03240] [ 6] > /home/jbk/espresso-4.3/bin/pw.x(__fft_parallel_MOD_tg_cft3s+0x122f) > [0x81f29bf] > [zen:03240] [ 7] /home/jbk/espresso-4.3/bin/pw.x(fwfft_x_+0x130) [0x81f0b90] > [zen:03240] [ 8] /home/jbk/espresso-4.3/bin/pw.x(addusstres_+0x398) > [0x81c5b88] > [zen:03240] [ 9] /home/jbk/espresso-4.3/bin/pw.x(stres_knl_+0x788) [0x81b94b8] > [zen:03240] [10] /home/jbk/espresso-4.3/bin/pw.x(stress_+0x2a4) [0x80e0344] > [zen:03240] [11] /home/jbk/espresso-4.3/bin/pw.x(MAIN__+0x44d) [0x806dccd] > [zen:03240] [12] /home/jbk/espresso-4.3/bin/pw.x(main+0x2b) [0x833e42b] > [zen:03240] [13] /lib/libc.so.6(__libc_start_main+0xe7) [0xb6633ce7] > [zen:03240] [14] /home/jbk/espresso-4.3/bin/pw.x() [0x806d7e1] > [zen:03240] *** End of error message *** > -------------------------------------------------------------------------- > mpirun noticed that process rank 0 with PID 3240 on node zen exited on > signal 11 (Segmentation fault). > -------------------------------------------------------------------------- > Error condition encountered during test: exit status = 139 > Aborting > > > Any ideas what is going on?...should i try to tell configure to use > fftw2?...dunno... > > brandon > _______________________________________________ > Pw_forum mailing list > Pw_forum at pwscf.org > http://www.democritos.it/mailman/listinfo/pw_forum
