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61 Commits

Author SHA1 Message Date
Carlo Cavazzoni 5fbc6ecc9c - LAXlib made independent from other module 2019-08-07 14:27:02 +02:00
Paolo Giannozzi f423ffc216 Fixes for NAG compiler glitches, courtesy Themos Tsikas 2019-06-12 20:55:06 +02:00
Paolo Giannozzi 6834a502ef [Skip-CI] Obsolete version 'svn' replaced by 'git'; various .PHONY of questionable 
usefulness, referring to no longer existing procedure devised for svn, removed
 2019-03-01 17:42:56 +01:00
Paolo Giannozzi cc985e701b Problem with parallel make (once again) 2019-02-05 09:15:04 +01:00
Paolo Giannozzi f725126d3a More minor cleanup: use module "parallel include" in KS_Solvers 2019-02-04 10:07:52 +01:00
Paolo Giannozzi 9a75ac9c8b Maybe irrelevant but this is the way it should be 2019-02-04 09:42:53 +01:00
Paolo Giannozzi 75f98e3c59 Last-minute addition of a comment in the Makefile had unexpected 
side effects. Now it should work. List of objects is now explicit
 2019-02-04 09:20:09 +01:00
Paolo Giannozzi 8e0ac0a7bf Small change to the Makefile of KS_Solvers should prevent annoying 
re-linking of executables due to a dependency of many executables
upon KS_Solvers/libks_solvers.a that in turn was re-build every time
 2019-02-03 22:00:40 +01:00
Lorenzo Paulatto (naquite) 4f0da5d0b4 More syntax that xlf90 does not like 2019-01-16 16:20:28 +01:00
Stefano De Gironcoli 18bfc19c86 a single libks_solvers.a library is created. 
Makefiles of the children codes are updated to use it.
 2018-08-14 01:41:44 +02:00
Stefano De Gironcoli 3ac492bb6e wrong indexing of threaded_backassignement corrected in ppcg_gamma 2018-08-08 06:53:49 +02:00
Stefano de Gironcoli 64cca07a92 more threaded_backassignement (including optionally summing another vector) 2018-08-07 14:15:39 +02:00
Stefano de Gironcoli 819ab53cc5 more thrreaded (back) assignments 2018-08-07 12:09:05 +02:00
Stefano de Gironcoli e85384bd98 more omp assignements 2018-08-06 07:17:35 +02:00
Stefano de Gironcoli 53b0e84e6c more chuncked omp parallel do loops 2018-08-06 03:34:51 +02:00
Stefano de Gironcoli a241241d27 updated dependencies 2018-08-05 16:52:11 +02:00
Stefano de Gironcoli d936f16226 export_gstart_2_* and set_mpi_comm_4_* moved to LAXLIB 
their call corrected in init_run and mp_global
a recently added bug in ppcg_k when npol=1 corrected
 2018-08-05 16:52:11 +02:00
Paolo Giannozzi db9228d819 make.depend updated 2018-08-05 11:08:40 +02:00
Paolo Giannozzi cd22b7fc54 Some compilers flag the presence of a comma as in WRITE( ), list-of-variables 
as obsolete syntax
 2018-08-05 11:05:47 +02:00
Stefano de Gironcoli ac8b63bd4c update of previous merge PPCG 2018-08-05 08:25:56 +00:00
Stefano de Gironcoli 90dafe5d29 timing of PPCG routines updated. 2018-08-03 10:20:51 +02:00
Stefano De Gironcoli b8f879e0d7 timing using start_clock/stop_clock 2018-08-03 09:27:57 +02:00
Stefano de Gironcoli 2c6d20ed77 updated versions of ppcg_gamma/k solvers. the generic-k 
version  works also in the case npol=2 (at least on my laptop with
mpirun -np 4 ...)
 2018-08-03 04:15:56 +02:00
Stefano de Gironcoli 57ec56ed6b further changes to make npol=2 case work 2018-08-03 04:15:56 +02:00
Stefano de Gironcoli b013e79275 first attempt to generalize to non-collinear case. tests CRASH. 2018-08-03 04:15:56 +02:00
Stefano de Gironcoli 203126fd44 avg number of iteration in ppcg computed properly 2018-08-03 04:15:56 +02:00
Stefano de Gironcoli e177dce7da fixed (hopefully) the dependence for the stand-alone cp compilation 2018-08-03 04:15:56 +02:00
Stefano de Gironcoli 5ad3ee115a let's change something so that the server recompiles 2018-08-03 04:15:56 +02:00
Stefano de Gironcoli d55e74a4e4 more minor changes to deal with ppcg option. 
PW/examples/example01 script modified to include ppcg; corresponding references added
 2018-08-03 04:15:56 +02:00
Stefano De Gironcoli 854fe693e0 PPCG: renaming of a few files originating form the CG case and makefile update 2018-08-03 04:15:56 +02:00
Stefano de Gironcoli 82fc9fa868 adding PPCG to KS_Solvers directory. makedeps script updated 2018-08-03 04:15:56 +02:00
Ye Luo aa13725349 Need to clean up the garbage npw to npwx. 2018-06-14 19:58:00 -05:00
Ye Luo 6ac7f8c32a Merge branch 'bugfix-ndiag' into opt-threading-all-parts 2018-06-14 19:05:31 -05:00
Ye Luo 94a9c8ca6b Bugfix Need to protect the array range properly. 2018-06-14 18:21:54 -05:00
Ye Luo f91ec7499e Chuncked innermost loop in collapse. 2018-06-03 09:24:05 -05:00
Ye Luo 8812c4085f Reverted to the old algorithm in hpsi_dot_v. 2018-06-02 16:24:36 -05:00
Ye Luo f0b9584bf8 Minor change 2018-06-02 13:19:17 -05:00
Ye Luo 9a94d4d047 Setting the chunk size as a constant 2018-06-02 12:30:11 -05:00
Ye Luo fa21b8d52a Add functions to do threaded memcpy and memset 
threaded_memXXX is contains a parallel do region
threaded_barrier_memXXX contains do region without parallel
threaded_nowait_memXXX contains do region without parallel and a nowait at the end do
 2018-06-02 12:22:42 -05:00
Ye Luo 9c16309006 Chuncked computing in cegterg. 2018-06-02 10:23:01 -05:00
Ye Luo c54ca024c6 Threade more in cegterg. 2018-06-01 00:31:26 -05:00
Ye Luo 14fef459bb Clean up threaded fill. 2018-05-28 19:36:01 -05:00
Ye Luo 14508b0810 Optimize hpsi_dot_v 2018-05-28 19:13:39 -05:00
Ye Luo 85f6e070d9 Add threaded copy. 2018-05-28 15:29:25 -05:00
Ye Luo 8b628c3f0a Clean up garbage when npw < npwx. 2018-05-28 15:14:05 -05:00
Ye Luo af2fac5ef9 Replace allgather with gather. 2018-05-28 08:34:42 -05:00
Ye Luo 2c6c859896 Remove all unnecessary mem ops in cegterg. 2018-05-27 21:54:46 -05:00
Ye Luo 0f340dd372 A bit comments. 2018-05-24 19:29:51 -05:00
Ye Luo 8d563908a8 Merge remote-tracking branch 'gitlab/develop' into opt-threading-all-parts 2018-04-18 18:32:01 -05:00
Ye Luo fceb56cf0c Avoid filling ptmp zero in hpsi_dot_v of regterg. 2018-03-19 11:01:16 -05:00