<div>I got cygwin to work finally. Not sure what I did differently. Maybe I was not using the right g95 compiler. It took a long time to build so I left it alone last night. So I ran </div>
<div>../../exe/Cygwin-i686-g95/cp2k.sopt H2O.inp<br></div>
<div>from the test directory QS. It ran ok. Thanks for the moral support. Now I am trying on a 64-bit Linux server with 1GB of ram. I am trying to install it as a non-privileged user. Some gave me a login to his server so I could do some testing.
</div>
<div>I installed these additional libraries FFTW, ATLAS (I think this consists of BLAS and LAPACK) and LIBINT within my home directory since I don't have write privileges on /usr/local. Is that an issue?<br></div>
<div class="gmail_quote">On Jan 9, 2008 5:01 PM, Jack Shultz <<a href="mailto:jackyg...@gmail.com">jackyg...@gmail.com</a>> wrote:<br>
<blockquote class="gmail_quote" style="PADDING-LEFT: 1ex; MARGIN: 0px 0px 0px 0.8ex; BORDER-LEFT: #ccc 1px solid">I'll try setting G95_MEM_MAXALLOC
<div>
<div></div>
<div class="Wj3C7c"><br><br>
<div class="gmail_quote">On Jan 9, 2008 3:58 PM, Jack Shultz <<a href="mailto:jackyg...@gmail.com" target="_blank">jackyg...@gmail.com</a>> wrote:<br>
<blockquote class="gmail_quote" style="PADDING-LEFT: 1ex; MARGIN: 0px 0px 0px 0.8ex; BORDER-LEFT: #ccc 1px solid">I'll see if it makes any difference if I use FFTW. I have experience using those libraries on another scientific app.
<div>
<div></div>
<div><br><br>
<div class="gmail_quote">On Jan 9, 2008 3:55 PM, Teodoro Laino <<a href="mailto:teodor...@gmail.com" target="_blank">teodor...@gmail.com</a>> wrote:<br>
<blockquote class="gmail_quote" style="PADDING-LEFT: 1ex; MARGIN: 0px 0px 0px 0.8ex; BORDER-LEFT: #ccc 1px solid">
<div style="WORD-WRAP: break-word">Jack,
<div><br></div>
<div>once you compile cp2k you get all the modules automatically. There's no possibility to compile only few of them, since they are</div>
<div>tightly connected.</div>
<div>If you look for a real documentation on how to start using cp2k.. well.. you may have read already the discussion going on about release and documentation. There's mainly nothing, if not the few pages on this group, that can be used to start using cp2k.
</div>
<div>The learning curve can be quite steep.. but you've plenty of examples in cp2k/tests and this discussion group for posting your</div>
<div>problems. I'm sure that people here will be happy to answer your questions ;-).</div>
<div><br></div>
<div>Teo.</div>
<div>
<div></div>
<div>
<div><br>
<div>
<div>On 9 Jan 2008, at 21:51, Jack Shultz wrote:</div><br>
<blockquote type="cite">Where do I find info on enabling different modules?<br><br>
<div class="gmail_quote">On Jan 9, 2008 1:57 PM, Teodoro Laino <<a href="mailto:teodor...@gmail.com" target="_blank">teodor...@gmail.com</a>> wrote:<br>
<blockquote class="gmail_quote" style="PADDING-LEFT: 1ex; MARGIN: 0px 0px 0px 0.8ex; BORDER-LEFT: #ccc 1px solid">
<div style="WORD-WRAP: break-word">Depends on your system and which module you want to run.. cannot really give you a number..
<div>Honestly speaking cp2k is as not memory-slim as one may wish.. Somehow there's a redundant use of memory.</div>
<div>Let's say the way we handle the memory structures is not optimal.</div>
<div><br></div>
<div>However I can safely say that with 128MB (part of them used also from the OS) you can't run large projects. </div>
<div><br></div>
<div>Teo</div>
<div>
<div><br></div>
<div>
<div>
<div>
<div>On 9 Jan 2008, at 19:51, Jack Shultz wrote:</div><br>
<blockquote type="cite"><span style="WORD-SPACING: 0px; FONT: 12px Helvetica; TEXT-TRANSFORM: none; COLOR: rgb(0,0,0); TEXT-INDENT: 0px; WHITE-SPACE: normal; LETTER-SPACING: normal; BORDER-COLLAPSE: separate">Thanks for letting me know. How about actually running the app. Would you need the same amount of memory?
</span></blockquote></div><br></div></div><br></div>
<div><br><br><br></div></div></blockquote></div></blockquote></div><br></div><br><br></div></div></div><br></blockquote></div><br></div></div></blockquote></div><br></div></div></blockquote></div><br>