1c7d191988
also print git version (if available) in multi-partition runs and in help message
2019-03-05 09:03:12 -05:00
1e573bd557
when compiling LAMMPS in a git checkout, embed and print git branch and revision info into the executable
2019-03-05 08:35:53 -05:00
36ad48b259
add OpenMP version detection and info output
2019-02-12 11:28:52 -05:00
7e1f760b72
rename python.h to lmppython.h and correspondingly python.cpp to lmppython.cpp
2019-02-04 14:24:53 -05:00
34e0c05b09
allow -suffix and -package command line flags to be use independently
2018-12-16 20:36:48 -05:00
94a4b59961
place queries for OS and compiler into functions in Info and use them for both, the info command and lmp -h/-help
2018-12-14 14:22:13 -05:00
ea8376b3fa
skip writing redundant version information to the screen when using the -h/-help flag.
2018-12-14 14:21:31 -05:00
264dd59c75
also output integer sizes and the corresponding define with lmp -h
2018-12-10 17:58:42 -05:00
c44620f00e
make sure all class pointers in the LAMMPS class are initialized to NULL
...
some early use of the LAMMPS class may produce segmentation faults,
if member classes are not yet initialized and their pointers are
pointing to random locations. For NULL we can easily test.
2018-12-07 04:34:00 -05:00
01c3ab5979
update embedded command line help summary string for new feature
2018-10-19 16:49:06 -04:00
709013be5a
harden code against buffer overflows
2018-10-19 16:48:37 -04:00
d9dd80b368
added -restart2dump command-line option
2018-10-18 14:24:48 -06:00
ca04e8f31c
use snprintf() in a bunch of cases to avoid overflowing fixed size buffers with unchecked strings
2018-09-06 02:57:53 -04:00
5f0423b97d
change -mpi to -mpicolor
2018-08-31 17:04:27 -06:00
b2d1332d46
change proc count to color for MPI_Comm_split
2018-08-02 14:47:20 -06:00
2f55981224
new MESSAGE package for client/server/coupling
2018-07-23 15:58:33 -06:00
dcdc7877a4
make compile time output more consistent and complete
2018-06-22 07:05:09 -04:00
2f11f2d7b2
query compile time settings in Info class
2018-06-22 06:59:09 -04:00
e25b6c81ee
use a more conventional way to generate and include the lmpinstalledpkgs.h file
2018-06-22 06:58:31 -04:00
e8e1349da4
make the list of installed packages a static const class member of the LAMMPS class
...
through this change, the list of packages becomes accessible for the
library interface and the python wrapper, e.g. to check whether a
prerequisite packages is installed (simpler/faster for quick highlevel
check than having to try instantiating a specific style).
2018-06-21 19:07:16 -04:00
9f3cb83fb3
use a list instead of a string to store the names of installed packages
2018-06-20 17:57:17 -04:00
9f3fae1c47
record 3d-FFT array packaging algorithm
2018-06-20 17:23:37 -04:00
7f0c88c74b
refactor the gathering of compile time settings after discussion with @sjplimp
...
- remove feature to record the compilation time and date
- remove 'echo -n' based "progress bar"
- update output format for "lmp_machine -h" to be consistent with help output
- move generation of lmpinstalledpkgs.h to be a separate target depending on
all sources and headers in src folder. this way it is only regenerated
when files are modified or packages installed
2018-06-20 17:23:37 -04:00
1f770a6a8f
print information about serial/parallel and MPI version for known libraries
2018-06-20 17:23:37 -04:00
4265e68ff8
record installed packages
2018-06-20 17:23:37 -04:00
90f0586c9e
include compilation date as an example for embedding info, that is not a define
2018-06-20 17:23:37 -04:00
c371ce1005
include date when LAMMPS was compiled
2018-06-20 17:23:37 -04:00
e3a528a493
report compile time options (-DLAMMPS_XXX) in help output and info config
2018-06-20 17:23:37 -04:00
e4071d7f46
replace C-style include files with their C++ equivalents
2018-04-27 18:00:24 -04:00
ee862d8bf5
replace leading tabs
2018-03-16 12:34:33 -04:00
2d8bce78a6
Refactor PYTHON package and wrapper classes
2017-04-11 21:22:30 -04:00
bfc478c320
simpler variant of the segfault workaround, that does not offend Clang c++.
2016-11-10 14:12:02 -05:00
2b75ee761d
avoid segmentation fault, when creating a LAMMPS instance from the library interface. arg[] may be NULL.
2016-11-10 13:28:32 -05:00
21694ca3a8
improve help and it through a pager, when screen == stdout
2016-11-07 17:10:12 -05:00
9b910d5511
make name of the actual executable (i.e. arg[0]) accessible
2016-11-07 17:07:40 -05:00
2c8a7a318a
bug fix for fix GCMC w/ fix shake, enhance of fix wall/gran/region with restarting
2016-10-13 16:55:53 -06:00
647ffab74f
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15493 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2016-08-23 22:45:54 +00:00
fdab2d6cb0
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15156 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2016-06-08 15:41:00 +00:00
04e401ae4b
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15080 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2016-05-31 16:20:32 +00:00
5b94aa3ae8
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15079 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2016-05-31 16:08:29 +00:00
042f50ac9c
Christian's kokkos patch that allows concurrent host and device threading
...
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14752 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2016-03-18 14:50:28 +00:00
daaadcdd86
Adding Kokkos output and error checks
...
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14525 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2016-01-29 17:24:04 +00:00
354e20f431
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14220 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2015-10-30 20:04:06 +00:00
cee848f948
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14164 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2015-10-22 22:06:49 +00:00
ef82677cb2
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14129 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2015-10-21 18:51:09 +00:00
fa6ad89b99
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14091 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2015-10-05 15:20:06 +00:00
9effcca0df
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14025 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2015-09-11 14:49:37 +00:00
31318401b6
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13972 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2015-08-31 13:32:05 +00:00
6b854b397c
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13952 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2015-08-28 23:41:05 +00:00
5288406600
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13623 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2015-07-16 22:41:28 +00:00
