compiling cp2k-3.0 on blugene/q
jorge alarcon
alar... at gmail.com
Sun Mar 6 12:52:10 UTC 2016
Hello cp2k users and developers,
I am a new user. I am trying to compile cp2k on an IBM blugene/Q using the
standard makefile provided by calling the following script:
#!/bin/bash
cd $HOME/cp2k/cp2k/makefiles
module purge all
module load xl
module load lapack/xl
module load scalapack/xl
module load fftw/xl/3.3.4
module list
make -j 4 ARCH=IBM-BGQ-MPI VERSION=psmp
##make ARCH=IBM-BGQ-MPI VERSION=psmp
and i get the following error:
/gpfs/u/home/TSDM/TSDMjral/cp2k/cp2k/src/pw/fft/fftw3_lib.F:450: error:
fftw3.f: No such file or directory
make[3]: *** [fftw3_lib.o] Error 1
I would appreciate any help that you could provide. Also, on a side note,
when i make without the -j option it tells me htat it cannot findthe
lapack, scalapack, and blass libraries.
I do not know if it may be related.
Jorge
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