From 5f8ec7ded173012b008cce79b7aa2f375e2a445d Mon Sep 17 00:00:00 2001 From: =?UTF-8?q?Edoardo=20Apr=C3=A0?= Date: Thu, 29 Jun 2023 13:55:33 -0700 Subject: [PATCH] memory --- Compiling-NWChem.md | 4 ++-- 1 file changed, 2 insertions(+), 2 deletions(-) diff --git a/Compiling-NWChem.md b/Compiling-NWChem.md index e0ed52a7..15011209 100644 --- a/Compiling-NWChem.md +++ b/Compiling-NWChem.md @@ -159,11 +159,11 @@ lacking any fast and large local filesystem. export USE_NOIO=TRUE ``` ~~**LIB_DEFINES** can be set to pass additional defines to the C -preprocessor (for both Fortran and C), e.g. +preprocessor (for both Fortran and C), e.g.~~ ``` export LIB_DEFINES=-DDFLT_TOT_MEM=16777216 ``` -Note: `-DDFLT_TOT_MEM` sets the default dynamic memory available for +~~Note: `-DDFLT_TOT_MEM` sets the default dynamic memory available for NWChem to run, where the units are in doubles.~~ However, it is recommended that, instead of manually defining this environment variable, the [getmem.nwchem](https://github.com/nwchemgit/nwchem/blob/master/contrib/getmem.nwchem) script to be executed as described in the related [section](#setting-the-default-memory-values)