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fix issue 668 #680

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Merged
amcadmus merged 11 commits into from
May 31, 2021
Merged

fix issue 668 #680

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67ee541
add Important hint for getting-started.md
denghuilu May 13, 2021
17aedce
add hint for some parameters
denghuilu May 13, 2021
3e46dc2
Merge branch 'devel' of https://github.com/denghuilu/deepmd-kit into …
denghuilu May 13, 2021
6b9a84d
add Important hint for variables
denghuilu May 13, 2021
1934c77
Update argcheck.py
denghuilu May 13, 2021
c9d9fa1
Merge branch 'devel' of https://github.com/denghuilu/deepmd-kit into …
denghuilu May 13, 2021
c9737d7
Update getting-started.md
denghuilu May 13, 2021
4600ca1
Merge pull request #37 from deepmodeling/devel
denghuilu May 18, 2021
9661490
Merge branch 'deepmodeling:devel' into devel
denghuilu May 27, 2021
9fd2a3e
Merge branch 'deepmodeling:devel' into devel
denghuilu May 31, 2021
5a4e8ec
fix bug of issue 668
denghuilu May 31, 2021
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2 changes: 1 addition & 1 deletion source/lib/src/prod_env_mat.cc
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Original file line number Diff line number Diff line change
Expand Up @@ -271,7 +271,7 @@ void deepmd::env_mat_nbor_update(
memcpy(&inlist.numneigh, 8 + mesh_host, sizeof(int *));
memcpy(&inlist.firstneigh, 12 + mesh_host, sizeof(int **));
const int ago = mesh_host[0];
if (ago == 0) {
if (ago == 0 || gpu_inlist.inum < inlist.inum) {
const int inum = inlist.inum;
if (gpu_inlist.inum < inum) {
delete_device_memory(gpu_inlist.ilist);
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