On Fri, Oct 4, 2019 at 6:18 PM David A Case <david.case.rutgers.edu> wrote:
> On Fri, Oct 04, 2019, Sunita Patel wrote:
> >>
> >I don't need MPI version of cpptraj. For me pmemd.MPI and sander.MPI
> areski
> >required. Other analyses I can do in my local workstation.
>
> If the lack of internet connection on the HPC system is a permanent ban
> (and not just a temporary problem, which sometimes happens with
> miniconda), then try adding the --skip-python flag to your configure
> run. You will need to build the serial, then the parallel codes on the
> HPC machine, but this should(?) remove the attempt to load miniconda.
With --skip-python no error during serial installation. However, got
following error during parallel installation of amber18. Am I missing
something?
I did ...
./configure -mpi --skip-python gnu
make install
Error: Missing actual argument for argument 'ismremd' at (1)
make[3]: *** [binrestart.o] Error 1
make[3]: Leaving directory
`/home/external/cbs/sunitap/softwares/amber18/src/pmemd/src'
make[2]: *** [parallel] Error 2
make[2]: Leaving directory
`/home/external/cbs/sunitap/softwares/amber18/src/pmemd'
make[1]: *** [parallel] Error 2
make[1]: Leaving directory
`/home/external/cbs/sunitap/softwares/amber18/src'
make: *** [install] Error 2
>
> ...good luck....dac
>
>
_______________________________________________
AMBER mailing list
AMBER.ambermd.org
http://lists.ambermd.org/mailman/listinfo/amber
Received on Mon Oct 07 2019 - 05:00:02 PDT
