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28 Commits

Author SHA1 Message Date
dalcorso 76af544935 Small corrections, mainly misleading routine names in error messages. 
git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@9377 c92efa57-630b-4861-b058-cf58834340f0
 2012-08-25 14:16:17 +00:00
ccavazzoni 9edd8741fd all the rearrangements of the arrays have been moved to subroutine scatter, 
this makes fft_parallel hopefully more readable,
and should allow the substitution of alltoallv with alltoall (to be tested next)



git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@8957 c92efa57-630b-4861-b058-cf58834340f0
 2012-05-06 14:53:22 +00:00
ccavazzoni 8040dea31d - grid data structure merged with the fft data structure. 
Now all variables regarding real space grid, fft and 
  their parallelization are contained into the objects:
  dfftp (dense grid) 
  dffts (smooth grid)



git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@7973 c92efa57-630b-4861-b058-cf58834340f0
 2011-07-14 22:14:15 +00:00
ccavazzoni 9cf1e7be53 - removing the dependency of "fft" modules from mp_global, 
now all the variables required for fft communication are contained
  in the fft data structure


git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@7489 c92efa57-630b-4861-b058-cf58834340f0
 2011-02-13 10:55:31 +00:00
ccavazzoni b21befe7aa - task groups variables moved inside fft_type 
git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@7439 c92efa57-630b-4861-b058-cf58834340f0
 2011-01-23 18:12:50 +00:00
ccavazzoni 8fb1ad0998 - eliminated module task groups (subroutines moved to fft modules) 
- added variables to fft type to store info about data distribution


git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@7433 c92efa57-630b-4861-b058-cf58834340f0
 2011-01-22 18:57:51 +00:00
giannozz b0c5e803dd Minor cleanup of unused variables; variable dfft%nnrx renamed 
dfft%tg_nnr so that it is clearly distinguishable from dfft%nnr


git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@7176 c92efa57-630b-4861-b058-cf58834340f0
 2010-10-27 13:25:00 +00:00
nn245 d0f18816e2 src cleanup (N. Nemec) 
git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@6445 c92efa57-630b-4861-b058-cf58834340f0
 2010-02-22 08:14:49 +00:00
nn245 e8b49314d3 Normalize whitespace and keywords (N. Nemec) 
git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@6443 c92efa57-630b-4861-b058-cf58834340f0
 2010-02-22 08:13:22 +00:00
ccavazzoni b9f9a395a7 - Some update in task groups stuff 
git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@5568 c92efa57-630b-4861-b058-cf58834340f0
 2009-05-29 15:48:39 +00:00
cavazzon 47fbba4499 - cleanup 
- fft 3D parallel driver generalized to include standard and task groups fft


git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@4569 c92efa57-630b-4861-b058-cf58834340f0
 2007-12-29 10:09:28 +00:00
cavazzon c465220073 - cleanup, information on processor groups moved from task_group to 
mp_global, in order to have a single place containing all info
  about the parallelization


git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@4567 c92efa57-630b-4861-b058-cf58834340f0
 2007-12-28 14:08:17 +00:00
giannozz 1e235af88b More patches by Axel: all occurrences of "index" replaced by "idx". 
"index" is an instrinsic and shouldn't be used as a variable.
control-M characters removed from qexml.f90


git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@3585 c92efa57-630b-4861-b058-cf58834340f0
 2006-12-01 14:41:55 +00:00
giannozz 6e55c387ee Axel's patch: removal of unused variables, replacement of variable "index" 
with a less dangerous "idx" ("index" is an intrinsic: some compilers may
complain, or even do strange things)


git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@3574 c92efa57-630b-4861-b058-cf58834340f0
 2006-11-27 15:06:51 +00:00
cavazzon c7bd96d697 - changes needed for blue gene porting 
git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@2867 c92efa57-630b-4861-b058-cf58834340f0
 2006-03-05 23:02:36 +00:00
cavazzon 2bebd0198c - Box grid data layout descriptor used in fft high level driver 
- fix in smdinit for Box grid descriptor


git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@2849 c92efa57-630b-4861-b058-cf58834340f0
 2006-02-23 22:10:40 +00:00
cavazzon 0cbd417269 - charge density is now read and written in CP/FPMD trough xml subroutine 
- CP/FPMD post processing updated, charge and states written in xsf/grd format
- CP rhoofr moved to file chargedensity.f90
- merged from_scratch subroutine


git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@2839 c92efa57-630b-4861-b058-cf58834340f0
 2006-02-19 23:29:28 +00:00
cavazzon f360a61a52 - fft drivers reorganization, elimination of redundant subroutines 
git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@2807 c92efa57-630b-4861-b058-cf58834340f0
 2006-02-14 10:23:58 +00:00
ballabio d214f05b60 last end subroutine --> end subroutine name [Gerardo] 
git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@1874 c92efa57-630b-4861-b058-cf58834340f0
 2005-05-18 14:02:51 +00:00
cavazzon 1733abe068 - more CP90/FPMD merging: fft high level driver, iosys, exchange-correlation 
- some subroutine shortened and simplyfied to make compilation easy


git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@1559 c92efa57-630b-4861-b058-cf58834340f0
 2005-01-15 10:53:46 +00:00
cavazzon 242e9454bf - more merging CP/FPMD 
- cleanups


git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@1412 c92efa57-630b-4861-b058-cf58834340f0
 2004-11-01 16:43:29 +00:00
sbraccia d5030e787e Unit stdout (set in io_global.f90) is used to write on standard output 
instead of 6 or *.
C.S.


git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@364 c92efa57-630b-4861-b058-cf58834340f0
 2003-11-04 10:26:03 +00:00
sbraccia 9de9d052ba In fft_types deallocation of fft_dlay_descriptor objects is done without 
checking if they are allocated or not. Fixed.
C.S.


git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@346 c92efa57-630b-4861-b058-cf58834340f0
 2003-10-28 14:17:36 +00:00
cavazzon 07c97593b8 - cleanup 
- serial code sticks enabled with fftw to (then we should check when
  it is worth to use them, in most cases seems convenient)


git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@197 c92efa57-630b-4861-b058-cf58834340f0
 2003-05-01 22:47:53 +00:00
cavazzon 23aec87a2f - more performance issues 
- ifdef __PARA removed from the main subroutine of PW, Gamma, D3, PP, PH
  now startup is called both for serial and parallel codes.
- cfts_3 included in fft_scalar ( tested for __AIX )
- module pencils in serial executions is no more needed


git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@189 c92efa57-630b-4861-b058-cf58834340f0
 2003-04-28 07:23:04 +00:00
cavazzon 029005dfa4 Comments + cleanup 
git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@185 c92efa57-630b-4861-b058-cf58834340f0
 2003-04-24 08:21:36 +00:00
cavazzon 1b9a9caa6b Working on FFTs, added module fft_scalar that will 
contain all scalar fft drivers


git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@157 c92efa57-630b-4861-b058-cf58834340f0
 2003-04-17 21:43:54 +00:00
cavazzon 5c35e55713 Work in progress with the FFTs. 
I've added a new module, fft_types, containing
a structure for the fft data layout description, this is
common to all cades and independent to a particular grid.
This data structure will be used in few general high level fft drivers.
Another module, fft_base, contains the scatter algorithms,
and low level fft auxiliary functions.
Test with the new data structure are being done with CP and FPMD.
Yet another module, fft_scalar (not yet in the repository),
will contain the scalar wrapper to the machine specific ffts


git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@149 c92efa57-630b-4861-b058-cf58834340f0
 2003-04-08 22:36:18 +00:00