On Tue, Mar 22, 2016 at 9:30 PM, David A Case <david.case.rutgers.edu>
wrote:
> On Tue, Mar 22, 2016, Ross Walker wrote:
>
> > [rcw.comet-ln3 amber]$ cat /etc/redhat-release
> > CentOS release 6.7 (Final)
> >
> > ./configure intel
> > (I said yes to download the miniconda stuff)
> > make
> >
> > (cd parmed && /home/rcw/amber/bin/amber.python setup.py install
> --no-setuptools -f --prefix=/home/rcw/amber
> --install-scripts=/home/rcw/amber/bin)
> > OpenBLAS: pthread_creat error in blas_thread_init function. Error code:11
>
> Just curious: does the --skip-python flag at least allow one to get around
> this problem?
>
> Second question: Does it make a difference if you load the MKL module?
> (MKL provides its own version of BLAS, and it may be most people (like me)
> that test intel builds also use MKL.)
>
This may have something to do with the fact that recently Anaconda (and
Miniconda) have started providing a version of numpy and scipy linked to
MKL. I wonder if this is causing problems. I'm trying to reproduce the
error on my machine. I know how to disable MKL (and this should probably
be done, anyway, since it increases the amount that needs to be downloaded
by quite a bit, I think).
If I can't repro it here, I'll see if I can on a CentOS 6.7 vagrant box.
As an aside, what version of the Intel compilers are you using?
--
Jason M. Swails
_______________________________________________
AMBER-Developers mailing list
AMBER-Developers.ambermd.org
http://lists.ambermd.org/mailman/listinfo/amber-developers
Received on Tue Mar 22 2016 - 19:00:05 PDT
