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memory

Edoardo Aprà 2023-06-29 13:55:33 -07:00 • committed by GitHub
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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)