From 361ed36bedcacbdaca574e81eda3d0c36dd0e8e7 Mon Sep 17 00:00:00 2001 From: sjplimp Date: Tue, 22 Mar 2016 13:43:01 +0000 Subject: [PATCH] git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14775 f3b2605a-c512-4ea7-a41b-209d697bcdaa --- lib/quip/README | 10 +++++++++- 1 file changed, 9 insertions(+), 1 deletion(-) diff --git a/lib/quip/README b/lib/quip/README index 95f9d48f3a..94039cfa17 100644 --- a/lib/quip/README +++ b/lib/quip/README @@ -40,6 +40,12 @@ directory, build/${QUIP_ARCH}, and all the building will happen there. First it will ask you some questions about where you keep libraries and other stuff. +Please note: if you are building QUIP to link it to LAMMPS, the serial version +of QUIP must be compiled. For example, QUIP_ARCH may be: +darwin_x86_64_gfortran +linux_x86_64_gfortran +linux_x86_64_ifort_icc etc. + If you don't use something it is asking for, just leave it blank. NB make sure to answer `y' to `Do you want to compile with GAP prediction support ? [y/n]'. The answers will be stored in Makefile.inc in the @@ -80,4 +86,6 @@ $ make yes-user-quip this to benchmark that the interface is working correctly. - a set of input files to demonstrate how GAP potentials are specified - in a LAMMPS input file to run a short MD. + in a LAMMPS input file to run a short MD. The GAP parameter file + gap_example.xml is intended for TESTING purposes only. Potentials can be + downloaded from http://www.libatoms.org or obtained from the authors of QUIP.