From eab939af23efbfc2cbefaeeea54db53233cf89bd Mon Sep 17 00:00:00 2001 From: Axel Kohlmeyer Date: Thu, 28 Mar 2019 12:47:06 -0400 Subject: [PATCH] add a note about the lack of stress/atom in USER-INTEL to the manual --- doc/src/Speed_intel.txt | 4 ++++ 1 file changed, 4 insertions(+) diff --git a/doc/src/Speed_intel.txt b/doc/src/Speed_intel.txt index da772f29fd..dc38cb0956 100644 --- a/doc/src/Speed_intel.txt +++ b/doc/src/Speed_intel.txt @@ -34,6 +34,10 @@ rebo, sw, tersoff :l K-Space Styles: pppm, pppm/disp :l :ule +IMPORTANT NOTE: None of the styles in the USER-INTEL package currently +support computing per-atom stress. If any compute or fix in your +input requires it, LAMMPS will abort with an error message. + [Speed-ups to expect:] The speedups will depend on your simulation, the hardware, which