Install steps with no internet

[MEF]

Hi,

I'm trying to install CP2K but my cluster has no outside world excess (internet); I can't change this. The install instructions says to run "install_cp2k_toolchain.sh" but this ends up trying to download programs. I have most compiler e.g. gnu/intel/openmpi. For example, I have tried:

 ./install_cp2k_toolchain.sh --mpi-mode=openmpi --math-mode=mkl --with-mkl=/opt/mkl/lib/intel64

however, the script tries to get:

"Getting proc arch info using OpenBLAS tools"

but I'm telling it to use mkl.

Do I need to run "install_cp2k_toolchain.sh" or can I edit one of the "arch" files and "make". 

Thanks for any help

[Tiziano Müller]

Hi,

you can always take one of the arch files in `arch/` as a template and
edit it to your needs. When using the Intel Parallel Studio (that is
with Intel Compiler, Intel MPI, Intel MKL)

arch/Linux-x86-64-intel-minimal.psmp

might be a good starting point.

You would then build CP2K with this arch file using:

make -j ARCH=Linux-x86-64-intel-minimal VERSION=psmp

(run in the directory with the Makefile).

I'd strongly suggest to make a copy of one of the arch files, giving it
a unique name in the process. But you should keep the VERSION
(corresponding to the part after the dot) to either ssmp (when building
only OpenMP-parallel) or psmp (when building for OpenMP- and MPI-parallel).

Best,
Tiziano

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[MEF]

Hi Tiziano,

It's trying to compile but I'm getting a lot errors; I have tried with both openmpi and intelmpi.

mpicc -c -O2 -fno-inline -fopenmp -fp-model precise -funroll-loops -g -qopenmp-simd -traceback -xHost /projects/cp2k-8.1/src/grid/grid_unittest.c

Updating archive /projects/cp2k-8.1/lib/my-openmpi-mkl/psmp/libcp2kfpga.a

ar: creating /projects/cp2k-8.1/lib/my-openmpi-mkl/psmp/libcp2kfpga.a

/projects/cp2k-8.1/tools/build_utils/fypp -n /projects/cp2k-8.1/src/minimax/minimax_exp_k53.F minimax_exp_k53.F90

/projects/cp2k-8.1/src/grid/grid_task_list.c(178): error: expected an expression

      for (int level = 0; level < nlevels; level++) {

           ^

/projects/cp2k-8.1/src/grid/grid_task_list.c(178): error: identifier "level" is undefined

      for (int level = 0; level < nlevels; level++) {

                          ^