quantum-espresso/FFTXlib
Stefano de Gironcoli 4c0f7a2baf fft_set_nl and fft_set_nlm unified in a single routine. mill is optional output. 2018-01-24 07:31:29 +01:00
..
examples execution order of the ffts in the scalar case (cftt3ds) changed from 2016-07-07 15:44:16 +00:00
FFTXlib.md Added FORD documentation for test.f90 2016-08-05 09:14:08 +00:00
Makefile Merge branch 'master' of https://gitlab.com/QEF/q-e 2018-01-10 14:58:38 +01:00
README.TEST - FFT test code adding command line argument to specify the 2016-02-17 08:36:59 +00:00
fft_error.f90 QE made ready to use MPI module instead of mpif.h include file. See the three 2016-11-25 14:11:28 +00:00
fft_fwinv.f90 new interface to fft calls 2018-01-02 17:45:45 +01:00
fft_ggen.f90 fft_set_nl and fft_set_nlm unified in a single routine. mill is optional output. 2018-01-24 07:31:29 +01:00
fft_helper_subroutines.f90 - printout of fft data distribution info moved to helper subroutines 2018-01-14 15:19:14 +01:00
fft_interfaces.f90 define a generic interface for fft_interpolate and move the correspondig routine to FFTXlib 2018-01-08 23:02:08 +01:00
fft_interpolate.f90 define a generic interface for fft_interpolate and move the correspondig routine to FFTXlib 2018-01-08 23:02:08 +01:00
fft_parallel.f90 - optimize memory access and copy 2017-08-04 21:04:39 +00:00
fft_param.f90 adding nl and nlm to fft_type 2017-12-24 00:15:56 +01:00
fft_scalar.ARM_LIB.f90 Patch for ARMLIB, courtesy Jason Wood 2017-10-25 16:11:30 +00:00
fft_scalar.DFTI.f90 __OPENMP => _OPENMP (set by all OpenMP-aware compilers) 2017-10-25 07:32:10 +00:00
fft_scalar.ESSL.f90 __OPENMP => _OPENMP (set by all OpenMP-aware compilers) 2017-10-25 07:32:10 +00:00
fft_scalar.FFTW.f90 __OPENMP => _OPENMP (set by all OpenMP-aware compilers) 2017-10-25 07:32:10 +00:00
fft_scalar.FFTW3.f90 __OPENMP => _OPENMP (set by all OpenMP-aware compilers) 2017-10-25 07:32:10 +00:00
fft_scalar.SX6.f90 __OPENMP => _OPENMP (set by all OpenMP-aware compilers) 2017-10-25 07:32:10 +00:00
fft_scalar.f90 Misc spelling errors 2017-10-25 20:08:57 +00:00
fft_smallbox.f90 MAJOR restructuring of the FFTXlib library 2017-08-01 20:31:02 +00:00
fft_smallbox_type.f90 MAJOR restructuring of the FFTXlib library 2017-08-01 20:31:02 +00:00
fft_stick.c Missing interfaces for FFTW + misspells, noticed by Anton 2017-08-08 14:17:21 +00:00
fft_support.f90 Cleanup of FFTXlib: 2016-11-27 21:43:15 +00:00
fft_types.f90 define a generic interface for fft_interpolate and move the correspondig routine to FFTXlib 2018-01-08 23:02:08 +01:00
fftw.c Serving no purposes and having the potential to conflict with FFTW contained 2016-01-12 17:35:33 +00:00
fftw.h Serving no purposes and having the potential to conflict with FFTW contained 2016-01-12 17:35:33 +00:00
fftw_interfaces.f90 Missing interfaces for FFTW + misspells, noticed by Anton 2017-08-08 14:17:21 +00:00
konst.h - FFT Modules replaced by FFTXlib 2015-11-21 10:37:48 +00:00
make.depend define a generic interface for fft_interpolate and move the correspondig routine to FFTXlib 2018-01-08 23:02:08 +01:00
scatter_mod.f90 Removal of too long lines (Pietro B.) and of tabulators 2017-09-14 15:13:08 +00:00
stick_base.f90 a forgotten deallocation created a serious memory leak when fft is initialized several times. 2017-08-24 15:29:52 +00:00
test.f90 mispelled variable desc$have_task_groups corrected to desc%has_task_group 2018-01-03 01:38:48 +01:00
test0.f90 new interface to fft calls 2018-01-02 17:45:45 +01:00
tg_gather.f90 missing file in previous commit. 2017-08-02 07:36:06 +00:00

README.TEST

This library provides a Testing and Timing code
to asses the performance of your FFT, estimate the
scalability and the size of your simulation.

To compile the test program, once you have properly
configure QE, go inside the directory FFTXlib and
type:
	make TEST

Then you can run your FFT tests using command like:

	mpirun -np 4 ./fft_test.x -ecutwfc 80 -alat 20  -nbnd 128 -ntg 4

or, in case of serial build

	./fft_test.x -ecutwfc 80 -alat 20  -nbnd 128 -ntg 4


Command line arguments:
-ecutwfc  Plane wave energy cut off
-alat     Lattice parameter
-nbnd     Number of bands (fft cycles)
-ntg      Number of task groups