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<TITLE>NWChem Frequently Asked Questions</TITLE>
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<td align="left" width="325"><img src="../../images/nwchem_logo_dark.gif" border=0 width=200 alt="NWChem - computational chemistry on parallel computers"></td>
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<td width="300" align="right"><a href="decosf.html">Next FAQ Catagory</a> | <a href="NWChem_FAQ.html">Return to Main FAQ</a></td>
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<br><br>
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<h1>NWChem FAQ</h1>
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<p><h2>Windows 32</h2></p>
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<!--DO NOT REMOVE Begin Question and End Question Comments.-->
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<ul>
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<!--Begin Question-->
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<li><a href="#win32compile">How do I compile NWChem on Windows NT and Windows 98? </a></li>
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<!--End Question-->
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</ul>
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<hr>
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<p>
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<a name="win32compile"></a>
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<font color="purple">How do I compile NWChem on Windows NT and
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Windows 98?</font>
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<p>
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The right target is <tt><b>WIN32</b>.</tt> Before starting the compilation,
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you must have installed the
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Compaq Visual Fortran compiler (version 6.0 and 6.1 have been successfully
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tested) and the NT.MPICH library
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(<a href="http://www-unix.mcs.anl.gov/~ashton/mpich.nt/">http://www-unix.mcs.anl.gov/~ashton/mpich.nt/</a> ).
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Then, you need to have defined this series of variables (that you can
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set in <tt> autoexec.bat</tt>)
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<pre><tt><b>
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set NWCHEM_TOP=c:\nwchem
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set NWCHEM_TARGET=WIN32
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set MPI_INCLUDE=c:\PROGRA~1\ARGONN~1\MPICHN~1.4\SDK\INCLUDE
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set MPI_LIB=c:\PROGRA~1\ARGONN~1\MPICHN~1.4\SDK\lib
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set NWCHEM_EXTRA_LIBS=%MPI_LIB%\mpich.lib
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</b></tt></pre>
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You'll first need to create the util_version.F file in the util directory
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<pre><tt><b>
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cd $NWCHEM_TOP\src\util
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cp util_v_stub.F util_version.F
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</b></tt></pre>
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For nwchem-4.7 you will also need to modify the <tt><b>matmul.c</b></tt> file in the <tt><b>tools/global/src</b></tt>
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directory
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<pre>
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<tt><b>cd $NWCHEM_TOP\src\tools\src</b></tt>
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</pre>
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edit <tt><b>matmul.c</b></tt> and change all instances of <tt><b>ga_error_</b></tt> to <tt><b>ga_error</b></tt>
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<p>
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To start the compilation, start the Microsoft makefile utility from
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the top level source directory by typing
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<pre>
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<tt><b>nmake</b></tt>
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</pre>
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The name of the executable is <tt><b> nw32.exe </b></tt>
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<p>
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Note: This build has only been tested using Compac visual fortran
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(version 6.6) and Microsoft
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C/C++ (Version 12.00) on windows XP and windows 2000.
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<p>
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Reminder: For Compaq visual fortran don't forget to execute the
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<tt><b>dfvars</b></tt> script.
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</p>
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<a href="../../download.html">Download</a> |
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</center>
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</font>
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<hr>Contact: <a href="mailto:ms3distribution@emsl.pnl.gov">NWChem Support</a><br>
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Updated: February 22, 2005
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