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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="sgi.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>DECOSF</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="#0">What is causing a segmentation violation in DECOSF 4.0? </a></li>
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<li><a href="#1">What is causing the <tt>ma_init failed</tt> error message? </a></li>
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<li><a href="#2">How to fix the segfault in single node runs on HP AlphaServer SC 2.5? </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="0"></a>
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<font color="purple">What is causing a segmentation violation in DECOSF 4.0?</font>
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<p>
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The <tt>-automatic</tt> Fortran compiler option is causing this problem under DECOSF 4.0 using version 5.2 of the f77 compiler. To get a working executable,
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you need to edit <tt>$NWCHEM_TOP/src/config/makefile.h</tt> at line <tt>1051</tt>. The modified line 1051 must therefore be
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<p><tt>FOPTIONS = -i8 -align dcommons -math_library fast -fpe2 -check
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nounderflow \</tt>
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<br><tt>-check nopower -check nooverflow -warn argument_checking
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-warn unused #-automatic</tt>
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</p>
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<hr>
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<p>
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<a name="1"></a>
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<font color="purple">What is causing the <tt>ma_init failed</tt> error message?</font>
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<p>
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If NWChem crashes with the error message
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<pre>
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MA error: MA_init: could not allocate XXXXXXXXX bytes
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------------------------------------------------------------------------
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nwchem.F: ma_init failed (ga_uses_ma=T) 911
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</pre>
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this is most likely due to the act the default <tt>datasize</tt> on DECOSF is too small
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(131072 kbytes). To increase this value under csh, please type
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<pre>
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limit datasize unlimited
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</pre>
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</p>
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<hr>
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<p>
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<a name="2"></a>
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<font color="purple">How to fix the segfault in single node runs on
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HP AlphaServer SC 2.5?</font>
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<p>
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To fix NWChem crashes with a segfault early on with a segfault in single
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node runs, please add the following environmental variable to your settings:
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<pre>
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</pre>
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<pre>
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setenv SHMEM_SMP_ENABLE 0
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</pre>
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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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