real beginer

[Eliot Moss]

On 10/23/2012 10:31 AM, Trixie wrote:
> Thank you all.
> Here's my story. I'm physics student and my master degree work is
> "Application of GPU on DFT calculations". I need this BigDFT to run certain
> examples on cuda based GPU computer and on regular CPU and discuss the
> results.
> Cygwin was my first choice because i felt comfortable using it. But I think
> this is gonna be harder then i expected. I guees i should give up Cygwin and
> instal (maybe) UBUNTU on partition of my computer and try there. Any
> suggestion there?
> Thank you all again, you've been most kind.

I am most of the way through building bigdft under cygwin.  I have
no idea how the GPU aspect might work but here is what I've done
so far:

1) Download blas.tgz to ~/downloads (where I put things)
    In ~/tools (because I like it):
    tar xzvf ~/downloads/blas.tgz
    In ~/tools/BLAS:
    Edit make.inc as desired
    make
    cp blas_LINUX.a /usr/lib/libblas.a

2) Download lapack-3.4.2.tgz to ~/downloads
    In ~/tools, tar xzvf ~/downloads/lapack-3.4.2.tgz
    In ~/tools/lapack-3.4.2:
    cp make.inc.example make.inc
    Edit make.inc as desired; note that libblas.a is in /usr/lib, so
      you *must* edit that line
    make  [takes a LONG time]
    cp *.a /usr/lib

3) Download bigdft-1.6.0.tar.gz to ~/downloads
    In ~/tools, gunzip -c ~/downloads/bigdft-1.6.0.tar.gz | tar xvf -
    In ~/tools/bigdft-1.6.0:
    ./configure  (takes a while)
    make         (takes quite a while)

This ultimately failed when linking, so something seems missing or
slightly off. I will try to look at it later.

On the other hand, setting up a Linux partition, or using
a Linux virtual machine under Windows, are reasonable options too.

Eliot Moss


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