[CP2K-user] [CP2K:15247] Install steps with no internet

[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++) {
                          ^


On Tuesday, April 27, 2021 at 8:33:07 AM UTC-4 tiz... at chem.uzh.ch wrote:

> 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
>
> On 4/27/21 2:14 PM, MEF wrote:
> > 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
> > 
> > 
> > 
> > -- 
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> > 
> https://groups.google.com/d/msgid/cp2k/f7c4de5f-8d9d-4529-a249-18b42735cfebn%40googlegroups.com 
> > <
> https://groups.google.com/d/msgid/cp2k/f7c4de5f-8d9d-4529-a249-18b42735cfebn%40googlegroups.com?utm_medium=email&utm_source=footer
> >.
>
> -- 
> Tiziano Müller
> University of Zurich
> Department of Chemistry
> Winterthurerstrasse 190
> CH-8057 Zürich
>
> Tel: +41 44 63 54234
> www.chem.uzh.ch
> tiz... at chem.uzh.ch
>
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