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Dear Sayan,
<div class=""> </div>
<div class=""> This issue could be due to the use of the incorrect version of the patch. In order to patch QE version 6.3 with ENVIRON, please make sure you are using the 'qe-6.3' branch of ENVIRON, which you can download from here: <a href="https://gitlab.com/olivieroandreussi/Environ/tree/qe-6.3" class="">https://gitlab.com/olivieroandreussi/Environ/tree/qe-6.3</a> </div>
<div class=""><br class="">
</div>
<div class="">Best regards,</div>
<div class=""><br class="">
</div>
<div class="">Francesco Nattino,</div>
<div class="">EPFL</div>
<div class="">
<div><br class="">
<blockquote type="cite" class="">
<div class="">On Aug 22, 2019, at 4:31 AM, Sayan Banerjee <<a href="mailto:sayanban@sas.upenn.edu" class="">sayanban@sas.upenn.edu</a>> wrote:</div>
<br class="Apple-interchange-newline">
<div class="">
<div dir="ltr" class="">
<div class="gmail_default" style="">
<div style="margin: 0px; font-variant-numeric: normal; font-variant-east-asian: normal; font-stretch: normal; font-size: 12px; line-height: normal;" class="">
<span class="gmail-s1" style="font-variant-ligatures:no-common-ligatures"><font face="arial, sans-serif" class="">Dear QE experts,</font></span></div>
<div style="margin: 0px; font-variant-numeric: normal; font-variant-east-asian: normal; font-stretch: normal; font-size: 12px; line-height: normal; min-height: 14px;" class="">
<font face="arial, sans-serif" class=""><span class="gmail-s1" style="font-variant-ligatures:no-common-ligatures"></span><br class="">
</font></div>
<div style="margin: 0px; font-variant-numeric: normal; font-variant-east-asian: normal; font-stretch: normal; font-size: 12px; line-height: normal;" class="">
<span class="gmail-s1" style="font-variant-ligatures:no-common-ligatures"><font face="arial, sans-serif" class="">I’m encountering some difficulties while doing the ENVIRON calculation in QE-6.3. I’m attaching the error in the slurm file. The calculation stops
here for the scf with ENVIRON patch-</font></span></div>
<div style="margin: 0px; font-variant-numeric: normal; font-variant-east-asian: normal; font-stretch: normal; font-size: 12px; line-height: normal; min-height: 14px;" class="">
<font face="arial, sans-serif" class=""><span class="gmail-s1" style="font-variant-ligatures:no-common-ligatures"></span><br class="">
</font></div>
<div style="margin: 0px; font-variant-numeric: normal; font-variant-east-asian: normal; font-stretch: normal; font-size: 12px; line-height: normal;" class="">
<span class="gmail-s1" style="font-variant-ligatures:no-common-ligatures"><font face="arial, sans-serif" class="">.out file</font></span></div>
<div style="margin: 0px; font-variant-numeric: normal; font-variant-east-asian: normal; font-stretch: normal; font-size: 12px; line-height: normal; min-height: 14px;" class="">
<font face="arial, sans-serif" class=""><span class="gmail-s1" style="font-variant-ligatures:no-common-ligatures"></span><br class="">
</font></div>
<div style="margin: 0px; font-variant-numeric: normal; font-variant-east-asian: normal; font-stretch: normal; font-size: 12px; line-height: normal;" class="">
<span class="gmail-s1" style="font-variant-ligatures:no-common-ligatures"><font face="arial, sans-serif" class="">`</font></span></div>
<div style="margin: 0px; font-variant-numeric: normal; font-variant-east-asian: normal; font-stretch: normal; font-size: 12px; line-height: normal;" class="">
<span class="gmail-s1" style="font-variant-ligatures:no-common-ligatures"><font face="arial, sans-serif" class=""><span class="gmail-Apple-converted-space">
</span>iteration # 35 <span class="gmail-Apple-converted-space"> </span>ecut=<span class="gmail-Apple-converted-space">
</span>50.00 Ry <span class="gmail-Apple-converted-space"> </span>beta= 0.70</font></span></div>
<div style="margin: 0px; font-variant-numeric: normal; font-variant-east-asian: normal; font-stretch: normal; font-size: 12px; line-height: normal;" class="">
<span class="gmail-s1" style="font-variant-ligatures:no-common-ligatures"><font face="arial, sans-serif" class=""><span class="gmail-Apple-converted-space">
</span>Davidson diagonalization with overlap</font></span></div>
<div style="margin: 0px; font-variant-numeric: normal; font-variant-east-asian: normal; font-stretch: normal; font-size: 12px; line-height: normal;" class="">
<span class="gmail-s1" style="font-variant-ligatures:no-common-ligatures"><font face="arial, sans-serif" class=""><span class="gmail-Apple-converted-space">
</span>ethr =<span class="gmail-Apple-converted-space"> </span>3.18E-04,<span class="gmail-Apple-converted-space">
</span>avg # of iterations =<span class="gmail-Apple-converted-space"> </span>1.4</font></span></div>
<div style="margin: 0px; font-variant-numeric: normal; font-variant-east-asian: normal; font-stretch: normal; font-size: 12px; line-height: normal; min-height: 14px;" class="">
<font face="arial, sans-serif" class=""><span class="gmail-s1" style="font-variant-ligatures:no-common-ligatures"></span><br class="">
</font></div>
<div style="margin: 0px; font-variant-numeric: normal; font-variant-east-asian: normal; font-stretch: normal; font-size: 12px; line-height: normal;" class="">
<span class="gmail-s1" style="font-variant-ligatures:no-common-ligatures"><font face="arial, sans-serif" class=""><span class="gmail-Apple-converted-space">
</span>negative rho (up, down):<span class="gmail-Apple-converted-space"> </span>
1.509E-01 0.000E+00</font></span></div>
<div style="margin: 0px; font-variant-numeric: normal; font-variant-east-asian: normal; font-stretch: normal; font-size: 12px; line-height: normal; min-height: 14px;" class="">
<font face="arial, sans-serif" class=""><span class="gmail-s1" style="font-variant-ligatures:no-common-ligatures"></span><br class="">
</font></div>
<div style="margin: 0px; font-variant-numeric: normal; font-variant-east-asian: normal; font-stretch: normal; font-size: 12px; line-height: normal;" class="">
<span class="gmail-s1" style="font-variant-ligatures:no-common-ligatures"><font face="arial, sans-serif" class=""><span class="gmail-Apple-converted-space">
</span>total cpu time spent up to now is <span class="gmail-Apple-converted-space">
</span>1838.8 secs</font></span></div>
<div style="margin: 0px; font-variant-numeric: normal; font-variant-east-asian: normal; font-stretch: normal; font-size: 12px; line-height: normal; min-height: 14px;" class="">
<font face="arial, sans-serif" class=""><span class="gmail-s1" style="font-variant-ligatures:no-common-ligatures"></span><br class="">
</font></div>
<div style="margin: 0px; font-variant-numeric: normal; font-variant-east-asian: normal; font-stretch: normal; font-size: 12px; line-height: normal;" class="">
<span class="gmail-s1" style="font-variant-ligatures:no-common-ligatures"><font face="arial, sans-serif" class=""><span class="gmail-Apple-converted-space">
</span>total energy<span class="gmail-Apple-converted-space"> </span>
= <span class="gmail-Apple-converted-space"> </span>-6986.20109719 Ry</font></span></div>
<div style="margin: 0px; font-variant-numeric: normal; font-variant-east-asian: normal; font-stretch: normal; font-size: 12px; line-height: normal;" class="">
<span class="gmail-s1" style="font-variant-ligatures:no-common-ligatures"><font face="arial, sans-serif" class=""><span class="gmail-Apple-converted-space">
</span>Harris-Foulkes estimate <span class="gmail-Apple-converted-space"> </span>
= <span class="gmail-Apple-converted-space"> </span>-6986.31969121 Ry</font></span></div>
<div style="margin: 0px; font-variant-numeric: normal; font-variant-east-asian: normal; font-stretch: normal; font-size: 12px; line-height: normal;" class="">
<span class="gmail-s1" style="font-variant-ligatures:no-common-ligatures"><font face="arial, sans-serif" class=""><span class="gmail-Apple-converted-space">
</span>estimated scf accuracy<span class="gmail-Apple-converted-space"> </span>
< <span class="gmail-Apple-converted-space"> </span>1.49244555 Ry</font></span></div>
<div style="margin: 0px; font-variant-numeric: normal; font-variant-east-asian: normal; font-stretch: normal; font-size: 12px; line-height: normal;" class="">
<span class="gmail-s1" style="font-variant-ligatures:no-common-ligatures"><font face="arial, sans-serif" class=""><span class="gmail-Apple-converted-space">
</span>electrostatic embedding <span class="gmail-Apple-converted-space"> </span>
= <span class="gmail-Apple-converted-space"> </span>0.00000000 Ry</font></span></div>
<div style="margin: 0px; font-variant-numeric: normal; font-variant-east-asian: normal; font-stretch: normal; font-size: 12px; line-height: normal;" class="">
<span class="gmail-s1" style="font-variant-ligatures:no-common-ligatures"><font face="arial, sans-serif" class=""><span class="gmail-Apple-converted-space">
</span>correction to one-el term = <span class="gmail-Apple-converted-space">
</span>0.00000000 Ry</font></span></div>
<div style="margin: 0px; font-variant-numeric: normal; font-variant-east-asian: normal; font-stretch: normal; font-size: 12px; line-height: normal; min-height: 14px;" class="">
<font face="arial, sans-serif" class=""><span class="gmail-s1" style="font-variant-ligatures:no-common-ligatures"></span><br class="">
</font></div>
<div style="margin: 0px; font-variant-numeric: normal; font-variant-east-asian: normal; font-stretch: normal; font-size: 12px; line-height: normal;" class="">
<span class="gmail-s1" style="font-variant-ligatures:no-common-ligatures"><font face="arial, sans-serif" class=""><span class="gmail-Apple-converted-space">
</span>iteration # 36 <span class="gmail-Apple-converted-space"> </span>ecut=<span class="gmail-Apple-converted-space">
</span>50.00 Ry <span class="gmail-Apple-converted-space"> </span>beta= 0.70</font></span></div>
<div style="margin: 0px; font-variant-numeric: normal; font-variant-east-asian: normal; font-stretch: normal; font-size: 12px; line-height: normal;" class="">
<span class="gmail-s1" style="font-variant-ligatures:no-common-ligatures"><font face="arial, sans-serif" class=""><span class="gmail-Apple-converted-space">
</span>Davidson diagonalization with overlap</font></span></div>
<div style="margin: 0px; font-variant-numeric: normal; font-variant-east-asian: normal; font-stretch: normal; font-size: 12px; line-height: normal;" class="">
<span class="gmail-s1" style="font-variant-ligatures:no-common-ligatures"><font face="arial, sans-serif" class=""><span class="gmail-Apple-converted-space">
</span>ethr =<span class="gmail-Apple-converted-space"> </span>2.69E-04,<span class="gmail-Apple-converted-space">
</span>avg # of iterations =<span class="gmail-Apple-converted-space"> </span>6.9</font></span></div>
<div style="margin: 0px; font-variant-numeric: normal; font-variant-east-asian: normal; font-stretch: normal; font-size: 12px; line-height: normal; min-height: 14px;" class="">
<font face="arial, sans-serif" class=""><span class="gmail-s1" style="font-variant-ligatures:no-common-ligatures"></span><br class="">
</font></div>
<div style="margin: 0px; font-variant-numeric: normal; font-variant-east-asian: normal; font-stretch: normal; font-size: 12px; line-height: normal;" class="">
<span class="gmail-s1" style="font-variant-ligatures:no-common-ligatures"><font face="arial, sans-serif" class=""><span class="gmail-Apple-converted-space">
</span>negative rho (up, down):<span class="gmail-Apple-converted-space"> </span>
1.411E-01 0.000E+00</font></span></div>
<div style="margin: 0px; font-variant-numeric: normal; font-variant-east-asian: normal; font-stretch: normal; font-size: 12px; line-height: normal; min-height: 14px;" class="">
<font face="arial, sans-serif" class=""><span class="gmail-s1" style="font-variant-ligatures:no-common-ligatures"></span><br class="">
</font></div>
<div style="margin: 0px; font-variant-numeric: normal; font-variant-east-asian: normal; font-stretch: normal; font-size: 12px; line-height: normal;" class="">
<span class="gmail-s1" style="font-variant-ligatures:no-common-ligatures"><font face="arial, sans-serif" class=""><span class="gmail-Apple-converted-space">
</span>add environment contribution to local potential</font></span></div>
<div style="margin: 0px; font-variant-numeric: normal; font-variant-east-asian: normal; font-stretch: normal; font-size: 12px; line-height: normal;" class="">
<span class="gmail-s1" style="font-variant-ligatures:no-common-ligatures"><font face="arial, sans-serif" class="">`</font></span></div>
<div style="margin: 0px; font-variant-numeric: normal; font-variant-east-asian: normal; font-stretch: normal; font-size: 12px; line-height: normal; min-height: 14px;" class="">
<font face="arial, sans-serif" class=""><span class="gmail-s1" style="font-variant-ligatures:no-common-ligatures"></span><br class="">
</font></div>
<div style="margin: 0px; font-variant-numeric: normal; font-variant-east-asian: normal; font-stretch: normal; font-size: 12px; line-height: normal; min-height: 14px;" class="">
<font face="arial, sans-serif" class=""><span class="gmail-s1" style="font-variant-ligatures:no-common-ligatures"></span><br class="">
</font></div>
<div style="margin: 0px; font-variant-numeric: normal; font-variant-east-asian: normal; font-stretch: normal; font-size: 12px; line-height: normal;" class="">
<span class="gmail-s1" style="font-variant-ligatures:no-common-ligatures"><font face="arial, sans-serif" class="">The slurm file has the following error -</font></span></div>
<div style="margin: 0px; font-variant-numeric: normal; font-variant-east-asian: normal; font-stretch: normal; font-size: 12px; line-height: normal; min-height: 14px;" class="">
<font face="arial, sans-serif" class=""><span class="gmail-s1" style="font-variant-ligatures:no-common-ligatures"></span><br class="">
</font></div>
<div style="margin: 0px; font-variant-numeric: normal; font-variant-east-asian: normal; font-stretch: normal; font-size: 12px; line-height: normal;" class="">
<span class="gmail-s1" style="font-variant-ligatures:no-common-ligatures"><font face="arial, sans-serif" class="">slurm file:</font></span></div>
<div style="margin: 0px; font-variant-numeric: normal; font-variant-east-asian: normal; font-stretch: normal; font-size: 12px; line-height: normal; min-height: 14px;" class="">
<font face="arial, sans-serif" class=""><span class="gmail-s1" style="font-variant-ligatures:no-common-ligatures"></span><br class="">
</font></div>
<div style="margin: 0px; font-variant-numeric: normal; font-variant-east-asian: normal; font-stretch: normal; font-size: 12px; line-height: normal;" class="">
<span class="gmail-s1" style="font-variant-ligatures:no-common-ligatures"><font face="arial, sans-serif" class="">`</font></span></div>
<div style="margin: 0px; font-variant-numeric: normal; font-variant-east-asian: normal; font-stretch: normal; font-size: 12px; line-height: normal;" class="">
<span class="gmail-s1" style="font-variant-ligatures:no-common-ligatures"><font face="arial, sans-serif" class="">ModuleCmd_Switch.c(179):ERROR:152: Module 'PrgEnv-cray' is currently not loaded</font></span></div>
<div style="margin: 0px; font-variant-numeric: normal; font-variant-east-asian: normal; font-stretch: normal; font-size: 12px; line-height: normal;" class="">
<span class="gmail-s1" style="font-variant-ligatures:no-common-ligatures"><font face="arial, sans-serif" class="">forrtl: severe (174): SIGSEGV, segmentation fault occurred</font></span></div>
<div style="margin: 0px; font-variant-numeric: normal; font-variant-east-asian: normal; font-stretch: normal; font-size: 12px; line-height: normal;" class="">
<span class="gmail-s1" style="font-variant-ligatures:no-common-ligatures"><font face="arial, sans-serif" class="">Image<span class="gmail-Apple-converted-space">
</span>PC<span class="gmail-Apple-converted-space"> </span>Routine<span class="gmail-Apple-converted-space">
</span>Line<span class="gmail-Apple-converted-space"> </span>Source</font></span></div>
<div style="margin: 0px; font-variant-numeric: normal; font-variant-east-asian: normal; font-stretch: normal; font-size: 12px; line-height: normal;" class="">
<span class="gmail-s1" style="font-variant-ligatures:no-common-ligatures"><font face="arial, sans-serif" class="">pw.x
<span class="gmail-Apple-converted-space"> </span>0000000000DB1C93<span class="gmail-Apple-converted-space">
</span>Unknown <span class="gmail-Apple-converted-space"> </span>Unknown<span class="gmail-Apple-converted-space">
</span>Unknown</font></span></div>
<div style="margin: 0px; font-variant-numeric: normal; font-variant-east-asian: normal; font-stretch: normal; font-size: 12px; line-height: normal;" class="">
<span class="gmail-s1" style="font-variant-ligatures:no-common-ligatures"><font face="arial, sans-serif" class="">libpthread-2.26.s<span class="gmail-Apple-converted-space">
</span>00002AAAB2977360<span class="gmail-Apple-converted-space"> </span>Unknown
<span class="gmail-Apple-converted-space"> </span>Unknown<span class="gmail-Apple-converted-space">
</span>Unknown</font></span></div>
<div style="margin: 0px; font-variant-numeric: normal; font-variant-east-asian: normal; font-stretch: normal; font-size: 12px; line-height: normal;" class="">
<span class="gmail-s1" style="font-variant-ligatures:no-common-ligatures"><font face="arial, sans-serif" class="">pw.x
<span class="gmail-Apple-converted-space"> </span>00000000007D0D1A<span class="gmail-Apple-converted-space">
</span>compute_dipole_<span class="gmail-Apple-converted-space"> </span>
88<span class="gmail-Apple-converted-space"> </span>compute_dipole.f90</font></span></div>
<div style="margin: 0px; font-variant-numeric: normal; font-variant-east-asian: normal; font-stretch: normal; font-size: 12px; line-height: normal;" class="">
<span class="gmail-s1" style="font-variant-ligatures:no-common-ligatures"><font face="arial, sans-serif" class="">pw.x
<span class="gmail-Apple-converted-space"> </span>0000000000AE465A<span class="gmail-Apple-converted-space">
</span>correction_period <span class="gmail-Apple-converted-space"> </span>
193<span class="gmail-Apple-converted-space"> </span>correction_periodic.f90</font></span></div>
<div style="margin: 0px; font-variant-numeric: normal; font-variant-east-asian: normal; font-stretch: normal; font-size: 12px; line-height: normal;" class="">
<span class="gmail-s1" style="font-variant-ligatures:no-common-ligatures"><font face="arial, sans-serif" class="">pw.x
<span class="gmail-Apple-converted-space"> </span>0000000000AC0B31<span class="gmail-Apple-converted-space">
</span>problem_poisson_m <span class="gmail-Apple-converted-space"> </span>
119<span class="gmail-Apple-converted-space"> </span>problem_poisson.f90</font></span></div>
<div style="margin: 0px; font-variant-numeric: normal; font-variant-east-asian: normal; font-stretch: normal; font-size: 12px; line-height: normal;" class="">
<span class="gmail-s1" style="font-variant-ligatures:no-common-ligatures"><font face="arial, sans-serif" class="">pw.x
<span class="gmail-Apple-converted-space"> </span>0000000000AAE7D8<span class="gmail-Apple-converted-space">
</span>embedding_electro<span class="gmail-Apple-converted-space"> </span>
90<span class="gmail-Apple-converted-space"> </span>embedding_electrostatic.f90</font></span></div>
<div style="margin: 0px; font-variant-numeric: normal; font-variant-east-asian: normal; font-stretch: normal; font-size: 12px; line-height: normal;" class="">
<span class="gmail-s1" style="font-variant-ligatures:no-common-ligatures"><font face="arial, sans-serif" class="">pw.x
<span class="gmail-Apple-converted-space"> </span>000000000099D8CA<span class="gmail-Apple-converted-space">
</span>environ_main_mp_c <span class="gmail-Apple-converted-space"> </span>
118<span class="gmail-Apple-converted-space"> </span>environ_main.f90</font></span></div>
<div style="margin: 0px; font-variant-numeric: normal; font-variant-east-asian: normal; font-stretch: normal; font-size: 12px; line-height: normal;" class="">
<span class="gmail-s1" style="font-variant-ligatures:no-common-ligatures"><font face="arial, sans-serif" class="">pw.x
<span class="gmail-Apple-converted-space"> </span>0000000000527DEA<span class="gmail-Apple-converted-space">
</span>plugin_scf_potent<span class="gmail-Apple-converted-space"> </span>
78<span class="gmail-Apple-converted-space"> </span>plugin_scf_potential.f90</font></span></div>
<div style="margin: 0px; font-variant-numeric: normal; font-variant-east-asian: normal; font-stretch: normal; font-size: 12px; line-height: normal;" class="">
<span class="gmail-s1" style="font-variant-ligatures:no-common-ligatures"><font face="arial, sans-serif" class="">pw.x
<span class="gmail-Apple-converted-space"> </span>000000000040F3F3<span class="gmail-Apple-converted-space">
</span>electrons_scf_<span class="gmail-Apple-converted-space"> </span>
726<span class="gmail-Apple-converted-space"> </span>electrons.f90</font></span></div>
<div style="margin: 0px; font-variant-numeric: normal; font-variant-east-asian: normal; font-stretch: normal; font-size: 12px; line-height: normal;" class="">
<span class="gmail-s1" style="font-variant-ligatures:no-common-ligatures"><font face="arial, sans-serif" class="">pw.x
<span class="gmail-Apple-converted-space"> </span>0000000000408DE4<span class="gmail-Apple-converted-space">
</span>electrons_<span class="gmail-Apple-converted-space"> </span>
146<span class="gmail-Apple-converted-space"> </span>electrons.f90</font></span></div>
<div style="margin: 0px; font-variant-numeric: normal; font-variant-east-asian: normal; font-stretch: normal; font-size: 12px; line-height: normal;" class="">
<span class="gmail-s1" style="font-variant-ligatures:no-common-ligatures"><font face="arial, sans-serif" class="">pw.x
<span class="gmail-Apple-converted-space"> </span>000000000056D74E<span class="gmail-Apple-converted-space">
</span>run_pwscf_<span class="gmail-Apple-converted-space"> </span>
132<span class="gmail-Apple-converted-space"> </span>run_pwscf.f90</font></span></div>
<div style="margin: 0px; font-variant-numeric: normal; font-variant-east-asian: normal; font-stretch: normal; font-size: 12px; line-height: normal;" class="">
<span class="gmail-s1" style="font-variant-ligatures:no-common-ligatures"><font face="arial, sans-serif" class="">pw.x
<span class="gmail-Apple-converted-space"> </span>0000000000406985<span class="gmail-Apple-converted-space">
</span>MAIN__ <span class="gmail-Apple-converted-space"> </span>
77<span class="gmail-Apple-converted-space"> </span>pwscf.f90</font></span></div>
<div style="margin: 0px; font-variant-numeric: normal; font-variant-east-asian: normal; font-stretch: normal; font-size: 12px; line-height: normal;" class="">
<span class="gmail-s1" style="font-variant-ligatures:no-common-ligatures"><font face="arial, sans-serif" class="">pw.x
<span class="gmail-Apple-converted-space"> </span>0000000000406812<span class="gmail-Apple-converted-space">
</span>Unknown <span class="gmail-Apple-converted-space"> </span>Unknown<span class="gmail-Apple-converted-space">
</span>Unknown</font></span></div>
<div style="margin: 0px; font-variant-numeric: normal; font-variant-east-asian: normal; font-stretch: normal; font-size: 12px; line-height: normal;" class="">
<span class="gmail-s1" style="font-variant-ligatures:no-common-ligatures"><font face="arial, sans-serif" class=""><a href="http://libc-2.26.so/" class="">libc-2.26.so</a>
<span class="gmail-Apple-converted-space"> </span>00002AAAB2EDBF8A<span class="gmail-Apple-converted-space">
</span>__libc_start_main <span class="gmail-Apple-converted-space"> </span>Unknown<span class="gmail-Apple-converted-space">
</span>Unknown</font></span></div>
<div style="margin: 0px; font-variant-numeric: normal; font-variant-east-asian: normal; font-stretch: normal; font-size: 12px; line-height: normal;" class="">
<span class="gmail-s1" style="font-variant-ligatures:no-common-ligatures"><font face="arial, sans-serif" class="">pw.x
<span class="gmail-Apple-converted-space"> </span>000000000040672A<span class="gmail-Apple-converted-space">
</span>Unknown <span class="gmail-Apple-converted-space"> </span>Unknown<span class="gmail-Apple-converted-space">
</span>Unknown</font></span></div>
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<span class="gmail-s1" style="font-variant-ligatures:no-common-ligatures"><font face="arial, sans-serif" class="">forrtl: severe (174): SIGSEGV, segmentation fault occurred</font></span></div>
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<span class="gmail-s1" style="font-variant-ligatures:no-common-ligatures"><font face="arial, sans-serif" class="">`</font></span></div>
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<div class="gmail_default" style=""><font face="arial, sans-serif" class="">Please let me know how to resolve the issue. </font></div>
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<div class="gmail_default" style=""><font face="arial, sans-serif" class="">Regards,</font></div>
<div class="gmail_default" style=""><font face="arial, sans-serif" class="">Sayan</font></div>
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<font face="arial, sans-serif" class="">-- <br class="">
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<div class=""><font face="arial, sans-serif" class=""><b style="" class=""><font color="#3d85c6" class="">Sayan Banerjee</font></b><br class="">
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<div dir="ltr" class=""><font face="arial, sans-serif" class=""><font size="2" class="">Gra</font><font size="2" class="">duate Student</font><br class="">
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<div class=""><font face="arial, sans-serif" class=""><font class="">Department of Chemistry
</font><b class=""><font color="#45818e" class="">|</font></b><font class=""> </font><span style="" class="">University of Pennsylvania, </span></font></div>
<div class=""><font face="arial, sans-serif" class=""><span style="" class="">Philadelphia, PA </span><font class="">19104-6323 </font></font></div>
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