FFT grid dimensions
Posted: Fri Mar 15, 2013 12:09 am
Dear all,
I would like to ask about a warning that appears in the log file for calculations using a sequential version of abinit 7.0.5:
The same appears also in the parallel version, though I am not using paral_kgb option. In both cases the code does not crash and continues in the computation. If I understand correctly what is written in the log shown here, the ngfft(2) and ngfft(3) are non zero (here ngfft(2)=36 and the same for ngfft(3)). Moreover, at the end of the log I find that:
I (naively) expected that this warning should appear only if the paral_kgb=1 and if the variable npfft is not set properly. Does it mean that I made a mistake while compiling the code or what could be the reason?
Thank you in advance for any help.
Vojtech
I would like to ask about a warning that appears in the log file for calculations using a sequential version of abinit 7.0.5:
Code: Select all
getng.F90:199:WARNING
The second and third dimension of the FFT grid, 0 0 were imposed to be multiple of the number of processors for the FFT, 1
For input ecut= 3.000000E+01 best grid ngfft= 36 36 36
max ecut= 3.085668E+01
==== FFT mesh ====
FFT mesh divisions ........................ 36 36 36
Augmented FFT divisions ................... 37 37 36
FFT algorithm ............................. 112
FFT cache size ............................ 16
getmpw: optimal value of mpw= 2071
The same appears also in the parallel version, though I am not using paral_kgb option. In both cases the code does not crash and continues in the computation. If I understand correctly what is written in the log shown here, the ngfft(2) and ngfft(3) are non zero (here ngfft(2)=36 and the same for ngfft(3)). Moreover, at the end of the log I find that:
Code: Select all
ngfft 36 36 36I (naively) expected that this warning should appear only if the paral_kgb=1 and if the variable npfft is not set properly. Does it mean that I made a mistake while compiling the code or what could be the reason?
Thank you in advance for any help.
Vojtech