scnc
/
quantum-espresso
mirror of https://gitlab.com/QEF/q-e.git
1
0
Fork 0
Code Issues Packages Projects Releases Wiki Activity
quantum-espresso/FFTXlib/examples/reference/fft_test0.out

271 lines
24 KiB
Plaintext
Raw Permalink Blame History

+-----------------------------------+
| QE FFT |
| testing & timing |
| by Carlo Cavazzoni |
+-----------------------------------+
alat = 13.187541199389281
Ecutwfc = 80.000000000000000
Ecutrho = 320.00000000000000
Ecuts = 320.00000000000000
Gcutrho = 37.545591461984500
Gcuts = 37.545591461984500
Gcutwfc = 18.772795730992250
Num bands = 1
Num procs = 1
Num Task Group = 1
nx = 75 ny = 119 nz = 167
dffts: nr1 = 75 nr2 = 120 nr3 = 180
nr1x= 75 nr2x= 120 nr3x= 180
G-vector sticks info
--------------------
sticks: dense smooth PW G-vecs: dense smooth PW
Sum 5417 5417 1349 548471 548471 68583
Tot 2709 2709 675
Define a function in Reciprocal space such that it contains
f(1,1,1) = (1.0,0.0) | a constant term
f(2,1,1) = (0.d0,0.5d0) | something varying along x
f(1,2,1) = (0.d0,0.3d0) | something varying along y
f(1,1,2) = (0.d0,0.7d0) | something varying along z
function in Reciprocal space
k = 1
( 1.000000 0.000000) ( 0.000000 0.500000) ( 0.000000 0.000000) ( 0.000000 0.000000) ( 0.000000 0.000000)
( 0.000000 0.300000) ( 0.000000 0.000000) ( 0.000000 0.000000) ( 0.000000 0.000000) ( 0.000000 0.000000)
( 0.000000 0.000000) ( 0.000000 0.000000) ( 0.000000 0.000000) ( 0.000000 0.000000) ( 0.000000 0.000000)
( 0.000000 0.000000) ( 0.000000 0.000000) ( 0.000000 0.000000) ( 0.000000 0.000000) ( 0.000000 0.000000)
( 0.000000 0.000000) ( 0.000000 0.000000) ( 0.000000 0.000000) ( 0.000000 0.000000) ( 0.000000 0.000000)
k = 2
( 0.000000 0.700000) ( 0.000000 0.000000) ( 0.000000 0.000000) ( 0.000000 0.000000) ( 0.000000 0.000000)
( 0.000000 0.000000) ( 0.000000 0.000000) ( 0.000000 0.000000) ( 0.000000 0.000000) ( 0.000000 0.000000)
( 0.000000 0.000000) ( 0.000000 0.000000) ( 0.000000 0.000000) ( 0.000000 0.000000) ( 0.000000 0.000000)
( 0.000000 0.000000) ( 0.000000 0.000000) ( 0.000000 0.000000) ( 0.000000 0.000000) ( 0.000000 0.000000)
( 0.000000 0.000000) ( 0.000000 0.000000) ( 0.000000 0.000000) ( 0.000000 0.000000) ( 0.000000 0.000000)
k = 3
( 0.000000 0.000000) ( 0.000000 0.000000) ( 0.000000 0.000000) ( 0.000000 0.000000) ( 0.000000 0.000000)
( 0.000000 0.000000) ( 0.000000 0.000000) ( 0.000000 0.000000) ( 0.000000 0.000000) ( 0.000000 0.000000)
( 0.000000 0.000000) ( 0.000000 0.000000) ( 0.000000 0.000000) ( 0.000000 0.000000) ( 0.000000 0.000000)
( 0.000000 0.000000) ( 0.000000 0.000000) ( 0.000000 0.000000) ( 0.000000 0.000000) ( 0.000000 0.000000)
( 0.000000 0.000000) ( 0.000000 0.000000) ( 0.000000 0.000000) ( 0.000000 0.000000) ( 0.000000 0.000000)
k = 4
( 0.000000 0.000000) ( 0.000000 0.000000) ( 0.000000 0.000000) ( 0.000000 0.000000) ( 0.000000 0.000000)
( 0.000000 0.000000) ( 0.000000 0.000000) ( 0.000000 0.000000) ( 0.000000 0.000000) ( 0.000000 0.000000)
( 0.000000 0.000000) ( 0.000000 0.000000) ( 0.000000 0.000000) ( 0.000000 0.000000) ( 0.000000 0.000000)
( 0.000000 0.000000) ( 0.000000 0.000000) ( 0.000000 0.000000) ( 0.000000 0.000000) ( 0.000000 0.000000)
( 0.000000 0.000000) ( 0.000000 0.000000) ( 0.000000 0.000000) ( 0.000000 0.000000) ( 0.000000 0.000000)
k = 5
( 0.000000 0.000000) ( 0.000000 0.000000) ( 0.000000 0.000000) ( 0.000000 0.000000) ( 0.000000 0.000000)
( 0.000000 0.000000) ( 0.000000 0.000000) ( 0.000000 0.000000) ( 0.000000 0.000000) ( 0.000000 0.000000)
( 0.000000 0.000000) ( 0.000000 0.000000) ( 0.000000 0.000000) ( 0.000000 0.000000) ( 0.000000 0.000000)
( 0.000000 0.000000) ( 0.000000 0.000000) ( 0.000000 0.000000) ( 0.000000 0.000000) ( 0.000000 0.000000)
( 0.000000 0.000000) ( 0.000000 0.000000) ( 0.000000 0.000000) ( 0.000000 0.000000) ( 0.000000 0.000000)
function in Real space (i,j,k)
k = 1
( 1.000000 1.500000) ( 0.958161 1.498246) ( 0.916616 1.492998) ( 0.875655 1.484292) ( 0.835567 1.472188)
( 0.984299 1.499589) ( 0.942460 1.497835) ( 0.900915 1.492587) ( 0.859954 1.483880) ( 0.819866 1.471777)
( 0.968641 1.498357) ( 0.926803 1.496603) ( 0.885257 1.491355) ( 0.844297 1.482648) ( 0.804208 1.470545)
( 0.953070 1.496307) ( 0.911231 1.494553) ( 0.869685 1.489305) ( 0.828725 1.480598) ( 0.788636 1.468495)
( 0.937626 1.493444) ( 0.895788 1.491691) ( 0.854242 1.486442) ( 0.813282 1.477736) ( 0.773193 1.465632)
k = 2
( 0.975570 1.499574) ( 0.933731 1.497820) ( 0.892186 1.492572) ( 0.851225 1.483865) ( 0.811137 1.471762)
( 0.959870 1.499162) ( 0.918031 1.497409) ( 0.876485 1.492160) ( 0.835525 1.483454) ( 0.795436 1.471351)
( 0.944212 1.497930) ( 0.902373 1.496177) ( 0.860827 1.490928) ( 0.819867 1.482222) ( 0.779778 1.470118)
( 0.928640 1.495880) ( 0.886801 1.494127) ( 0.845256 1.488878) ( 0.804295 1.480172) ( 0.764207 1.468068)
( 0.913197 1.493018) ( 0.871358 1.491264) ( 0.829812 1.486016) ( 0.788852 1.477309) ( 0.748764 1.465206)
k = 3
( 0.951170 1.498295) ( 0.909332 1.496541) ( 0.867786 1.491293) ( 0.826826 1.482586) ( 0.786737 1.470483)
( 0.935470 1.497884) ( 0.893631 1.496130) ( 0.852085 1.490882) ( 0.811125 1.482175) ( 0.771036 1.470072)
( 0.919812 1.496651) ( 0.877973 1.494898) ( 0.836428 1.489649) ( 0.795467 1.480943) ( 0.755379 1.468840)
( 0.904240 1.494601) ( 0.862401 1.492848) ( 0.820856 1.487599) ( 0.779895 1.478893) ( 0.739807 1.466790)
( 0.888797 1.491739) ( 0.846958 1.489986) ( 0.805413 1.484737) ( 0.764452 1.476031) ( 0.724364 1.463927)
k = 4
( 0.926830 1.496165) ( 0.884991 1.494412) ( 0.843446 1.489163) ( 0.802485 1.480457) ( 0.762397 1.468354)
( 0.911129 1.495754) ( 0.869290 1.494001) ( 0.827745 1.488752) ( 0.786784 1.480046) ( 0.746696 1.467942)
( 0.895472 1.494522) ( 0.853633 1.492768) ( 0.812087 1.487520) ( 0.771127 1.478813) ( 0.731038 1.466710)
( 0.879900 1.492472) ( 0.838061 1.490718) ( 0.796515 1.485470) ( 0.755555 1.476763) ( 0.715466 1.464660)
( 0.864457 1.489610) ( 0.822618 1.487856) ( 0.781072 1.482608) ( 0.740112 1.473901) ( 0.700023 1.461798)
k = 5
( 0.902579 1.493188) ( 0.860740 1.491434) ( 0.819194 1.486186) ( 0.778234 1.477479) ( 0.738146 1.465376)
( 0.886878 1.492777) ( 0.845039 1.491023) ( 0.803494 1.485775) ( 0.762533 1.477068) ( 0.722445 1.464965)
( 0.871220 1.491544) ( 0.829381 1.489791) ( 0.787836 1.484542) ( 0.746875 1.475836) ( 0.706787 1.463732)
( 0.855648 1.489494) ( 0.813810 1.487741) ( 0.772264 1.482492) ( 0.731304 1.473786) ( 0.691215 1.461682)
( 0.840205 1.486632) ( 0.798366 1.484878) ( 0.756821 1.479630) ( 0.715860 1.470924) ( 0.675772 1.458820)
function in Reciprocal space
k = 1
( 1.000000 -0.000000) ( -0.000000 0.500000) ( -0.000000 0.000000) ( -0.000000 0.000000) ( 0.000000 -0.000000)
( 0.000000 0.300000) ( 0.000000 0.000000) ( 0.000000 -0.000000) ( -0.000000 0.000000) ( 0.000000 0.000000)
( 0.000000 0.000000) ( 0.000000 0.000000) ( 0.000000 0.000000) ( -0.000000 0.000000) ( -0.000000 -0.000000)
( -0.000000 -0.000000) ( 0.000000 -0.000000) ( 0.000000 0.000000) ( -0.000000 0.000000) ( -0.000000 -0.000000)
( -0.000000 0.000000) ( -0.000000 0.000000) ( 0.000000 -0.000000) ( -0.000000 0.000000) ( -0.000000 -0.000000)
k = 2
( -0.000000 0.700000) ( 0.000000 0.000000) ( 0.000000 0.000000) ( 0.000000 0.000000) ( -0.000000 0.000000)
( 0.000000 0.000000) ( 0.000000 -0.000000) ( -0.000000 0.000000) ( 0.000000 -0.000000) ( 0.000000 0.000000)
( 0.000000 0.000000) ( 0.000000 -0.000000) ( 0.000000 0.000000) ( -0.000000 0.000000) ( -0.000000 -0.000000)
( -0.000000 -0.000000) ( 0.000000 0.000000) ( -0.000000 0.000000) ( -0.000000 0.000000) ( 0.000000 0.000000)
( -0.000000 -0.000000) ( 0.000000 -0.000000) ( 0.000000 0.000000) ( -0.000000 -0.000000) ( 0.000000 -0.000000)
k = 3
( 0.000000 0.000000) ( -0.000000 0.000000) ( -0.000000 -0.000000) ( -0.000000 -0.000000) ( 0.000000 0.000000)
( 0.000000 0.000000) ( -0.000000 0.000000) ( 0.000000 -0.000000) ( -0.000000 -0.000000) ( 0.000000 0.000000)
( -0.000000 0.000000) ( -0.000000 0.000000) ( -0.000000 0.000000) ( 0.000000 -0.000000) ( -0.000000 0.000000)
( 0.000000 -0.000000) ( -0.000000 -0.000000) ( -0.000000 0.000000) ( -0.000000 -0.000000) ( -0.000000 -0.000000)
( -0.000000 0.000000) ( 0.000000 0.000000) ( 0.000000 0.000000) ( 0.000000 -0.000000) ( 0.000000 -0.000000)
k = 4
( 0.000000 0.000000) ( -0.000000 0.000000) ( 0.000000 -0.000000) ( 0.000000 0.000000) ( 0.000000 0.000000)
( -0.000000 -0.000000) ( 0.000000 -0.000000) ( -0.000000 0.000000) ( 0.000000 0.000000) ( -0.000000 0.000000)
( -0.000000 -0.000000) ( 0.000000 0.000000) ( -0.000000 -0.000000) ( 0.000000 -0.000000) ( -0.000000 -0.000000)
( 0.000000 0.000000) ( -0.000000 0.000000) ( -0.000000 -0.000000) ( -0.000000 -0.000000) ( 0.000000 0.000000)
( 0.000000 -0.000000) ( -0.000000 -0.000000) ( 0.000000 -0.000000) ( 0.000000 0.000000) ( 0.000000 0.000000)
k = 5
( 0.000000 0.000000) ( -0.000000 -0.000000) ( 0.000000 0.000000) ( -0.000000 0.000000) ( 0.000000 0.000000)
( 0.000000 0.000000) ( 0.000000 0.000000) ( -0.000000 0.000000) ( -0.000000 0.000000) ( 0.000000 0.000000)
( -0.000000 0.000000) ( -0.000000 0.000000) ( 0.000000 -0.000000) ( -0.000000 -0.000000) ( 0.000000 0.000000)
( -0.000000 -0.000000) ( 0.000000 -0.000000) ( 0.000000 -0.000000) ( -0.000000 0.000000) ( -0.000000 -0.000000)
( 0.000000 0.000000) ( 0.000000 0.000000) ( 0.000000 0.000000) ( 0.000000 0.000000) ( 0.000000 -0.000000)
Execute FFT calls once more, this time as Wave !
function in Real space (i,j,k)
k = 1
( 1.000000 1.500000) ( 0.958161 1.498246) ( 0.916616 1.492998) ( 0.875655 1.484292) ( 0.835567 1.472188)
( 0.984299 1.499589) ( 0.942460 1.497835) ( 0.900915 1.492587) ( 0.859954 1.483880) ( 0.819866 1.471777)
( 0.968641 1.498357) ( 0.926803 1.496603) ( 0.885257 1.491355) ( 0.844297 1.482648) ( 0.804208 1.470545)
( 0.953070 1.496307) ( 0.911231 1.494553) ( 0.869685 1.489305) ( 0.828725 1.480598) ( 0.788636 1.468495)
( 0.937626 1.493444) ( 0.895788 1.491691) ( 0.854242 1.486442) ( 0.813282 1.477736) ( 0.773193 1.465632)
k = 2
( 0.975570 1.499574) ( 0.933731 1.497820) ( 0.892186 1.492572) ( 0.851225 1.483865) ( 0.811137 1.471762)
( 0.959870 1.499162) ( 0.918031 1.497409) ( 0.876485 1.492160) ( 0.835525 1.483454) ( 0.795436 1.471351)
( 0.944212 1.497930) ( 0.902373 1.496177) ( 0.860827 1.490928) ( 0.819867 1.482222) ( 0.779778 1.470118)
( 0.928640 1.495880) ( 0.886801 1.494127) ( 0.845256 1.488878) ( 0.804295 1.480172) ( 0.764207 1.468068)
( 0.913197 1.493018) ( 0.871358 1.491264) ( 0.829812 1.486016) ( 0.788852 1.477309) ( 0.748764 1.465206)
k = 3
( 0.951170 1.498295) ( 0.909332 1.496541) ( 0.867786 1.491293) ( 0.826826 1.482586) ( 0.786737 1.470483)
( 0.935470 1.497884) ( 0.893631 1.496130) ( 0.852085 1.490882) ( 0.811125 1.482175) ( 0.771036 1.470072)
( 0.919812 1.496651) ( 0.877973 1.494898) ( 0.836428 1.489649) ( 0.795467 1.480943) ( 0.755379 1.468840)
( 0.904240 1.494601) ( 0.862401 1.492848) ( 0.820856 1.487599) ( 0.779895 1.478893) ( 0.739807 1.466790)
( 0.888797 1.491739) ( 0.846958 1.489986) ( 0.805413 1.484737) ( 0.764452 1.476031) ( 0.724364 1.463927)
k = 4
( 0.926830 1.496165) ( 0.884991 1.494412) ( 0.843446 1.489163) ( 0.802485 1.480457) ( 0.762397 1.468354)
( 0.911129 1.495754) ( 0.869290 1.494001) ( 0.827745 1.488752) ( 0.786784 1.480046) ( 0.746696 1.467942)
( 0.895472 1.494522) ( 0.853633 1.492768) ( 0.812087 1.487520) ( 0.771127 1.478813) ( 0.731038 1.466710)
( 0.879900 1.492472) ( 0.838061 1.490718) ( 0.796515 1.485470) ( 0.755555 1.476763) ( 0.715466 1.464660)
( 0.864457 1.489610) ( 0.822618 1.487856) ( 0.781072 1.482608) ( 0.740112 1.473901) ( 0.700023 1.461798)
k = 5
( 0.902579 1.493188) ( 0.860740 1.491434) ( 0.819194 1.486186) ( 0.778234 1.477479) ( 0.738146 1.465376)
( 0.886878 1.492777) ( 0.845039 1.491023) ( 0.803494 1.485775) ( 0.762533 1.477068) ( 0.722445 1.464965)
( 0.871220 1.491544) ( 0.829381 1.489791) ( 0.787836 1.484542) ( 0.746875 1.475836) ( 0.706787 1.463732)
( 0.855648 1.489494) ( 0.813810 1.487741) ( 0.772264 1.482492) ( 0.731304 1.473786) ( 0.691215 1.461682)
( 0.840205 1.486632) ( 0.798366 1.484878) ( 0.756821 1.479630) ( 0.715860 1.470924) ( 0.675772 1.458820)
function in Reciprocal space
k = 1
( 1.000000 0.000000) ( -0.000000 0.500000) ( -0.000000 0.000000) ( -0.000000 0.000000) ( 0.000000 0.000000)
( 0.000000 0.300000) ( 0.000000 0.000000) ( 0.000000 -0.000000) ( -0.000000 0.000000) ( 0.000000 0.000000)
( 0.000000 0.000000) ( -0.000000 0.000000) ( 0.000000 0.000000) ( -0.000000 0.000000) ( -0.000000 -0.000000)
( -0.000000 -0.000000) ( 0.000000 -0.000000) ( 0.000000 0.000000) ( -0.000000 0.000000) ( -0.000000 -0.000000)
( -0.000000 0.000000) ( -0.000000 0.000000) ( 0.000000 -0.000000) ( -0.000000 0.000000) ( -0.000000 -0.000000)
k = 2
( -0.000000 0.700000) ( 0.000000 0.000000) ( 0.000000 0.000000) ( -0.000000 0.000000) ( -0.000000 0.000000)
( 0.000000 0.000000) ( 0.000000 -0.000000) ( -0.000000 0.000000) ( 0.000000 -0.000000) ( 0.000000 0.000000)
( 0.000000 0.000000) ( 0.000000 -0.000000) ( 0.000000 0.000000) ( -0.000000 0.000000) ( -0.000000 -0.000000)
( -0.000000 -0.000000) ( 0.000000 0.000000) ( -0.000000 0.000000) ( -0.000000 0.000000) ( -0.000000 0.000000)
( -0.000000 0.000000) ( 0.000000 -0.000000) ( 0.000000 0.000000) ( -0.000000 -0.000000) ( 0.000000 -0.000000)
k = 3
( 0.000000 -0.000000) ( 0.000000 0.000000) ( -0.000000 -0.000000) ( -0.000000 -0.000000) ( 0.000000 -0.000000)
( 0.000000 0.000000) ( -0.000000 0.000000) ( 0.000000 -0.000000) ( 0.000000 0.000000) ( 0.000000 -0.000000)
( -0.000000 0.000000) ( -0.000000 0.000000) ( -0.000000 0.000000) ( 0.000000 -0.000000) ( -0.000000 -0.000000)
( 0.000000 -0.000000) ( -0.000000 -0.000000) ( -0.000000 0.000000) ( -0.000000 -0.000000) ( -0.000000 -0.000000)
( -0.000000 0.000000) ( 0.000000 0.000000) ( 0.000000 0.000000) ( 0.000000 -0.000000) ( 0.000000 -0.000000)
k = 4
( 0.000000 0.000000) ( -0.000000 0.000000) ( 0.000000 -0.000000) ( 0.000000 -0.000000) ( 0.000000 0.000000)
( 0.000000 -0.000000) ( 0.000000 -0.000000) ( 0.000000 0.000000) ( -0.000000 0.000000) ( 0.000000 -0.000000)
( -0.000000 -0.000000) ( 0.000000 -0.000000) ( -0.000000 -0.000000) ( 0.000000 -0.000000) ( -0.000000 0.000000)
( 0.000000 -0.000000) ( -0.000000 -0.000000) ( -0.000000 -0.000000) ( -0.000000 -0.000000) ( 0.000000 0.000000)
( 0.000000 -0.000000) ( 0.000000 -0.000000) ( 0.000000 -0.000000) ( 0.000000 -0.000000) ( 0.000000 -0.000000)
k = 5
( 0.000000 0.000000) ( -0.000000 -0.000000) ( 0.000000 -0.000000) ( -0.000000 0.000000) ( 0.000000 0.000000)
( 0.000000 0.000000) ( 0.000000 0.000000) ( -0.000000 0.000000) ( -0.000000 -0.000000) ( 0.000000 0.000000)
( -0.000000 0.000000) ( -0.000000 -0.000000) ( 0.000000 -0.000000) ( 0.000000 -0.000000) ( 0.000000 -0.000000)
( -0.000000 0.000000) ( 0.000000 -0.000000) ( 0.000000 -0.000000) ( -0.000000 -0.000000) ( -0.000000 -0.000000)
( 0.000000 0.000000) ( -0.000000 0.000000) ( 0.000000 0.000000) ( 0.000000 -0.000000) ( -0.000000 0.000000)
Execute FFT calls once more, this time as with cft3ds !
function in Real space (i,j,k)
k = 1
( 1.000000 1.500000) ( 0.958161 1.498246) ( 0.916616 1.492998) ( 0.875655 1.484292) ( 0.835567 1.472188)
( 0.984299 1.499589) ( 0.942460 1.497835) ( 0.900915 1.492587) ( 0.859954 1.483880) ( 0.819866 1.471777)
( 0.968641 1.498357) ( 0.926803 1.496603) ( 0.885257 1.491355) ( 0.844297 1.482648) ( 0.804208 1.470545)
( 0.953070 1.496307) ( 0.911231 1.494553) ( 0.869685 1.489305) ( 0.828725 1.480598) ( 0.788636 1.468495)
( 0.937626 1.493444) ( 0.895788 1.491691) ( 0.854242 1.486442) ( 0.813282 1.477736) ( 0.773193 1.465632)
k = 2
( 0.975570 1.499574) ( 0.933731 1.497820) ( 0.892186 1.492572) ( 0.851225 1.483865) ( 0.811137 1.471762)
( 0.959870 1.499162) ( 0.918031 1.497409) ( 0.876485 1.492160) ( 0.835525 1.483454) ( 0.795436 1.471351)
( 0.944212 1.497930) ( 0.902373 1.496177) ( 0.860827 1.490928) ( 0.819867 1.482222) ( 0.779778 1.470118)
( 0.928640 1.495880) ( 0.886801 1.494127) ( 0.845256 1.488878) ( 0.804295 1.480172) ( 0.764207 1.468068)
( 0.913197 1.493018) ( 0.871358 1.491264) ( 0.829812 1.486016) ( 0.788852 1.477309) ( 0.748764 1.465206)
k = 3
( 0.951170 1.498295) ( 0.909332 1.496541) ( 0.867786 1.491293) ( 0.826826 1.482586) ( 0.786737 1.470483)
( 0.935470 1.497884) ( 0.893631 1.496130) ( 0.852085 1.490882) ( 0.811125 1.482175) ( 0.771036 1.470072)
( 0.919812 1.496651) ( 0.877973 1.494898) ( 0.836428 1.489649) ( 0.795467 1.480943) ( 0.755379 1.468840)
( 0.904240 1.494601) ( 0.862401 1.492848) ( 0.820856 1.487599) ( 0.779895 1.478893) ( 0.739807 1.466790)
( 0.888797 1.491739) ( 0.846958 1.489986) ( 0.805413 1.484737) ( 0.764452 1.476031) ( 0.724364 1.463927)
k = 4
( 0.926830 1.496165) ( 0.884991 1.494412) ( 0.843446 1.489163) ( 0.802485 1.480457) ( 0.762397 1.468354)
( 0.911129 1.495754) ( 0.869290 1.494001) ( 0.827745 1.488752) ( 0.786784 1.480046) ( 0.746696 1.467942)
( 0.895472 1.494522) ( 0.853633 1.492768) ( 0.812087 1.487520) ( 0.771127 1.478813) ( 0.731038 1.466710)
( 0.879900 1.492472) ( 0.838061 1.490718) ( 0.796515 1.485470) ( 0.755555 1.476763) ( 0.715466 1.464660)
( 0.864457 1.489610) ( 0.822618 1.487856) ( 0.781072 1.482608) ( 0.740112 1.473901) ( 0.700023 1.461798)
k = 5
( 0.902579 1.493188) ( 0.860740 1.491434) ( 0.819194 1.486186) ( 0.778234 1.477479) ( 0.738146 1.465376)
( 0.886878 1.492777) ( 0.845039 1.491023) ( 0.803494 1.485775) ( 0.762533 1.477068) ( 0.722445 1.464965)
( 0.871220 1.491544) ( 0.829381 1.489791) ( 0.787836 1.484542) ( 0.746875 1.475836) ( 0.706787 1.463732)
( 0.855648 1.489494) ( 0.813810 1.487741) ( 0.772264 1.482492) ( 0.731304 1.473786) ( 0.691215 1.461682)
( 0.840205 1.486632) ( 0.798366 1.484878) ( 0.756821 1.479630) ( 0.715860 1.470924) ( 0.675772 1.458820)
function in Reciprocal space
k = 1
( 1.000000 -0.000000) ( -0.000000 0.500000) ( 0.000000 0.000000) ( -0.000000 0.000000) ( 0.000000 -0.000000)
( 0.000000 0.300000) ( 0.000000 -0.000000) ( 0.000000 0.000000) ( -0.000000 -0.000000) ( 0.000000 0.000000)
( -0.000000 -0.000000) ( 0.000000 0.000000) ( 0.000000 0.000000) ( -0.000000 -0.000000) ( 0.000000 0.000000)
( -0.000000 -0.000000) ( 0.000000 0.000000) ( 0.000000 0.000000) ( -0.000000 -0.000000) ( -0.000000 -0.000000)
( -0.000000 0.000000) ( -0.000000 -0.000000) ( 0.000000 -0.000000) ( 0.000000 0.000000) ( 0.000000 0.000000)
k = 2
( 0.000000 0.700000) ( 0.000000 0.000000) ( 0.000000 0.000000) ( 0.000000 -0.000000) ( -0.000000 0.000000)
( -0.000000 0.000000) ( 0.000000 -0.000000) ( -0.000000 0.000000) ( 0.000000 -0.000000) ( 0.000000 0.000000)
( 0.000000 -0.000000) ( -0.000000 0.000000) ( 0.000000 0.000000) ( 0.000000 0.000000) ( -0.000000 -0.000000)
( 0.000000 -0.000000) ( -0.000000 0.000000) ( 0.000000 -0.000000) ( -0.000000 -0.000000) ( 0.000000 -0.000000)
( -0.000000 -0.000000) ( 0.000000 -0.000000) ( 0.000000 -0.000000) ( 0.000000 0.000000) ( -0.000000 0.000000)
k = 3
( 0.000000 0.000000) ( 0.000000 -0.000000) ( -0.000000 -0.000000) ( 0.000000 -0.000000) ( 0.000000 0.000000)
( 0.000000 -0.000000) ( -0.000000 0.000000) ( 0.000000 0.000000) ( 0.000000 -0.000000) ( -0.000000 0.000000)
( 0.000000 -0.000000) ( -0.000000 -0.000000) ( -0.000000 0.000000) ( 0.000000 -0.000000) ( 0.000000 -0.000000)
( -0.000000 -0.000000) ( -0.000000 -0.000000) ( 0.000000 -0.000000) ( 0.000000 -0.000000) ( -0.000000 0.000000)
( 0.000000 -0.000000) ( -0.000000 0.000000) ( -0.000000 -0.000000) ( -0.000000 -0.000000) ( -0.000000 -0.000000)
k = 4
( 0.000000 0.000000) ( -0.000000 0.000000) ( 0.000000 0.000000) ( 0.000000 -0.000000) ( -0.000000 0.000000)
( 0.000000 -0.000000) ( -0.000000 -0.000000) ( -0.000000 -0.000000) ( 0.000000 0.000000) ( 0.000000 0.000000)
( -0.000000 -0.000000) ( -0.000000 -0.000000) ( 0.000000 0.000000) ( 0.000000 -0.000000) ( 0.000000 0.000000)
( -0.000000 -0.000000) ( 0.000000 0.000000) ( -0.000000 0.000000) ( 0.000000 -0.000000) ( -0.000000 -0.000000)
( 0.000000 -0.000000) ( -0.000000 0.000000) ( 0.000000 0.000000) ( 0.000000 0.000000) ( 0.000000 0.000000)
k = 5
( -0.000000 0.000000) ( -0.000000 0.000000) ( -0.000000 -0.000000) ( 0.000000 -0.000000) ( 0.000000 -0.000000)
( 0.000000 0.000000) ( -0.000000 0.000000) ( 0.000000 0.000000) ( 0.000000 -0.000000) ( 0.000000 0.000000)
( -0.000000 -0.000000) ( 0.000000 -0.000000) ( 0.000000 0.000000) ( 0.000000 0.000000) ( -0.000000 0.000000)
( 0.000000 -0.000000) ( -0.000000 0.000000) ( 0.000000 0.000000) ( 0.000000 0.000000) ( 0.000000 0.000000)
( 0.000000 -0.000000) ( -0.000000 -0.000000) ( -0.000000 -0.000000) ( -0.000000 0.000000) ( 0.000000 0.000000)
**** QE 3DFFT Timing ****
grid size = 75 120 180
num proc = 1
num band = 1
num task group = 1
num fft cycles = 0
+--------------------+----------------+-----------------+----------------+
|FFT subroutine | sec. min | sec. max | sec. avg |
+--------------------+----------------+-----------------+----------------+
|pack_group_sticks/w | 0.00000D+00 | 0.000D+00 | 0.000D+00 |
|fw_tg_cft3_z | 0.00000D+00 | 0.000D+00 | 0.000D+00 |
|fw_tg_cft3_scatter | 0.00000D+00 | 0.000D+00 | 0.000D+00 |
|fw_tg_cft3_xy | 0.00000D+00 | 0.000D+00 | 0.000D+00 |
|workload | 0.00000D+00 | 0.000D+00 | 0.000D+00 |
|bw_tg_cft3_xy | 0.00000D+00 | 0.000D+00 | 0.000D+00 |
|bw_tg_cft3_scatter | 0.00000D+00 | 0.000D+00 | 0.000D+00 |
|bw_tg_cft3_z | 0.00000D+00 | 0.000D+00 | 0.000D+00 |
|unpack_group_sticks | 0.00000D+00 | 0.000D+00 | 0.000D+00 |
|wall time | 0.72169D-01 |
+--------------------+----------------+-----------------+----------------+
Reference in New Issue View Git Blame Copy Permalink