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
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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
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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
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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.
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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
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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
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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
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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.
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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
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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