10
0
mirror of https://github.com/LCPQ/quantum_package synced 2024-12-23 12:56:14 +01:00
Commit Graph

2593 Commits

Author SHA1 Message Date
d680c85b8c Parallelism OK 2017-11-28 15:51:21 +01:00
c476aa1159 MPI with I/O 2017-11-28 14:20:17 +01:00
1a5a4d5ff2 Introduced MPI for EZFIO accesses 2017-11-28 01:05:28 +01:00
6b0b988ee8 Fixed overflow 2017-11-27 23:38:48 +01:00
68967d2101 Improved Parallelism 2017-11-27 23:18:18 +01:00
a9aeda4958 Packed tasks for PT2 stoch 2017-11-27 19:44:29 +01:00
fa7505ceca Fixed qp_run 2017-11-27 17:18:14 +01:00
a672cdb445 Selectors_Utils is not a core module 2017-11-27 16:40:40 +01:00
5fcb1e455e FIxed travis 2017-11-27 16:31:00 +01:00
1705a29815 Fixed travis 2017-11-27 13:43:05 +01:00
37c05e25e2 Forgot file 2017-11-27 13:17:02 +01:00
3aa99f23b6 ZMQ_PUSH 2017-11-27 12:07:27 +01:00
db87e1d3c4 Removed GPI2 2017-11-27 12:05:51 +01:00
0df48e6b15 Cleaning 2017-11-27 11:28:16 +01:00
12295ce7c0 Removed aligns 2017-11-27 10:58:32 +01:00
fc5f0b9745 mpif.h 2017-11-27 09:58:48 +01:00
4243595a17 reset ifort_mpi.cfg 2017-11-27 02:20:34 +01:00
99cbe9cfe3 Stabilized parallel calculations 2017-11-27 02:04:05 +01:00
3aeff1b2b1 Fixed MPI parallelism 2017-11-27 00:09:25 +01:00
514b13bc2f Introduced put/get in OCaml 2017-11-26 23:47:19 +01:00
d6ac6e6e73 Debugging 2017-11-26 11:15:58 +01:00
9a0654c17d Error messages 2017-11-24 01:02:53 +01:00
e09e270a01 Better error messages 2017-11-23 21:12:41 +01:00
077e140a9d Fixed MPI 2017-11-23 19:24:42 +01:00
ae1cb2dfd5 Chunks in broadcast 2017-11-23 18:43:04 +01:00
11913e211c MPI_SUCCESS 2017-11-23 18:07:24 +01:00
e111130454 MPI broadcast works 2017-11-23 12:17:47 +01:00
5469ba87ea Forgot file 2017-11-23 11:16:38 +01:00
b14ccfe5dd Merge branch 'feature/mpi' into develop 2017-11-23 10:36:10 +01:00
e55a1565e8 MPI test is OK 2017-11-23 10:35:13 +01:00
334f165ff1 First MPI tests seem OK 2017-11-22 17:07:16 +01:00
6f68bc69e9 Final print 2017-11-22 16:23:56 +01:00
38831926db Final print 2017-11-22 16:21:16 +01:00
66930be4c4 Print 2017-11-21 17:20:18 +01:00
32614df72b Fixed multi-state 2017-11-21 15:52:16 +01:00
c63d4255d7 Added exrtapolation 2017-11-21 15:40:04 +01:00
cd3c13077a Multi-state PT2 2017-11-21 14:53:32 +01:00
a290736145 Fixed PT2 stoch multistate 2017-11-21 10:43:38 +01:00
ca5f6efc93 Fixed print in Davdison 2017-11-21 09:24:39 +01:00
e0bd14a122 N_states saved with natorb 2017-11-20 15:48:36 +01:00
14eb5b4a42 Multi-state PT2 OK 2017-11-20 15:19:00 +01:00
31557a1180 Bohr possible in xyz 2017-11-20 12:25:12 +01:00
5b942e2db0 Memory leak fixed in 4idx 2017-11-17 11:41:47 +01:00
d83c9d3712 Fixed travis 2017-10-30 16:21:26 +01:00
8826ba9c2d Fixed travis 2017-10-30 15:35:55 +01:00
c179484238 Cleaning 2017-10-30 12:26:23 +01:00
Emmanuel Giner
301b459f1b Merge http://github.com/scemama/quantum_package 2017-10-27 12:21:45 +02:00
Emmanuel Giner
b447da300e Modifs Manus 2017-10-27 12:20:00 +02:00
80e5819658 Bug in MO cache 2017-10-20 16:08:41 +02:00
8854eeb457 Fixed four-idx 2017-10-16 22:47:18 +02:00