|
c911db7f8e
|
Accelerated u0_h_u0
|
2016-12-13 12:40:12 +01:00 |
|
|
683189855a
|
De-symmetrized u0_H_u0
|
2016-12-13 12:29:48 +01:00 |
|
|
c07b0381b7
|
Acceleration of Davidson for Nint>1
|
2016-12-06 11:31:15 +01:00 |
|
|
cc66ed86db
|
Minor changes
|
2016-12-03 18:58:07 +01:00 |
|
|
07b48ef2f7
|
Updated install scripts
|
2016-12-02 12:04:38 +01:00 |
|
|
3c230b42fe
|
Introduced davidson_diag_hjj_sjj_mmap
|
2016-11-16 10:17:37 +01:00 |
|
|
23e5036718
|
Better parallelization of Davidson
|
2016-11-14 13:33:36 +01:00 |
|
|
fe54cb2675
|
Introduced PT2 energy denomitator provider
|
2016-11-11 23:07:58 +01:00 |
|
|
a1a2d88826
|
Removed ZMQ parallelization in Davidson
|
2016-11-08 16:59:29 +01:00 |
|
|
225c1f607e
|
Manu changes
|
2016-11-04 17:34:05 +01:00 |
|
|
62e8d1a0ac
|
The qp_run queue now pops from the back
|
2016-10-18 13:38:45 +02:00 |
|
|
c3a6b5ba6b
|
Avoid extra calculation of S2
|
2016-10-11 23:42:05 +02:00 |
|
|
7fcb4008de
|
Improved parallel davidson
|
2016-10-11 22:45:40 +02:00 |
|
|
cde6fd07e3
|
merged
|
2016-10-10 16:03:56 +02:00 |
|
Yann Garniron
|
30eda7b248
|
removed OMP - double work
|
2016-10-10 14:45:58 +02:00 |
|
|
617809538e
|
Removed prints
|
2016-10-09 22:56:16 +02:00 |
|
|
126ae40305
|
Reduced memory
|
2016-10-09 22:51:40 +02:00 |
|
|
12407798c9
|
Merge branch 'garniron-master': Davidson OpenMP
Conflicts:
src/Davidson/davidson_parallel.irp.f
src/Davidson/u0Hu0.irp.f
|
2016-10-08 21:42:43 +02:00 |
|
Yann Garniron
|
c3dd90e199
|
davidson locally reduces task results
|
2016-10-08 19:21:53 +02:00 |
|
|
fc90d61d5e
|
Fixed H_u_0_nstates N_st /= N_states_diag
|
2016-10-07 19:51:08 +02:00 |
|
Yann Garniron
|
77015118d7
|
beta-beta now distributed in davidson
|
2016-10-07 14:14:26 +02:00 |
|
|
b75e7dd2c2
|
Fixed bug of dimensions in davidson
|
2016-10-07 12:22:43 +02:00 |
|
|
f7a2710f5c
|
Corrected bug in transposed collector
|
2016-10-07 09:46:59 +02:00 |
|
|
693604d338
|
Improve parallel davidson
|
2016-10-07 00:42:03 +02:00 |
|
|
e7375d1b9a
|
Increased task sizes
|
2016-10-06 16:39:34 +02:00 |
|
|
311df93d20
|
Corrected N_states N_states_diag i parallel davidson
|
2016-10-06 14:35:43 +02:00 |
|
Yann Garniron
|
e2154fb892
|
corrected ZMQ bug - removed stack array
|
2016-10-06 10:54:40 +02:00 |
|
Yann Garniron
|
1afee06817
|
a davidson task is a range of blocks
|
2016-10-06 09:54:52 +02:00 |
|
Yann Garniron
|
7cc21bc38d
|
need to touch dav_size before filling dav_det for ifort
|
2016-10-05 11:27:35 +02:00 |
|
Yann Garniron
|
32e578c261
|
further microlisting splash_pq and spot_isinwf
|
2016-10-05 10:10:28 +02:00 |
|
Yann Garniron
|
521c37add9
|
davidson_slave sparse output
|
2016-10-03 14:02:26 +02:00 |
|
Yann Garniron
|
272482e8fa
|
miniserver when needed - untested
|
2016-10-03 10:42:47 +02:00 |
|
Yann Garniron
|
c431da3830
|
hobo_server - unstable
|
2016-09-30 18:33:46 +02:00 |
|
Yann Garniron
|
02b48aabce
|
shared memory davidson
|
2016-09-30 15:29:06 +02:00 |
|
|
c5501ef1f9
|
Include S^2 inside davidson
|
2016-09-27 15:55:38 +02:00 |
|
|
c8a5cf37cd
|
Working on davidson
|
2016-09-23 16:16:48 +02:00 |
|
|
9c50e4de2e
|
Optimized ninja
|
2016-09-23 10:01:26 +02:00 |
|
|
0112cf20f3
|
automatic make -C ocaml
|
2016-09-23 09:38:20 +02:00 |
|
|
1746a14717
|
Compiles with gfortran
|
2016-09-22 21:52:25 +02:00 |
|
|
402a16fbd4
|
moved psi_energy
|
2016-09-22 16:26:54 +02:00 |
|
|
98059e87f5
|
Extracting davidson from slater rules
|
2016-09-20 17:29:02 +02:00 |
|