Forum - RSDFT-1.3.0

Jump to navigation Jump to search
Overview > Topics > Porting > RSDFT-1.3.0
[#89]

Hello,

I confirmed that the results for the example data of RSDFT-1.3.0 are correct by using NEC compiler version 3.5.1, NEC Numeric Library Collection version 2.3.0 and NEC MPI version 2.21.0 with the attached patch.

$ unzip ./RSDFT-master.zip
$ cd RSDFT-master/
$ cp src/make.inc.org src/make.inc
$ patch -p0 < RSDFT.patch
$ cd src/
$ source /opt/nec/ve/mpi/2.21.0/bin/necmpivars.sh
$ source /opt/nec/ve/nlc/2.3.0/bin/nlcvars.sh
$ make
Posted by T.Baba on 3 October 2022 at 05:54.