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<p class="MsoNormal"><span lang="EN-US" style="font-size:11.0pt;mso-fareast-language:EN-US">Hi<o:p></o:p></span></p>
<p class="MsoNormal"><span lang="EN-US" style="font-size:11.0pt;mso-fareast-language:EN-US"><o:p> </o:p></span></p>
<p class="MsoNormal"><span lang="EN-US" style="font-size:11.0pt;mso-fareast-language:EN-US">Possible causes for such segmentation faults could be insufficient stack sizes. Try to run in advance the following commands (bash):<o:p></o:p></span></p>
<ul style="margin-top:0cm" type="disc">
<li class="MsoListParagraph" style="margin-left:0cm;mso-list:l0 level1 lfo1"><span lang="EN-US" style="font-size:11.0pt;mso-fareast-language:EN-US">ulimit -s unlimited
<o:p></o:p></span></li><li class="MsoListParagraph" style="margin-left:0cm;mso-list:l0 level1 lfo1"><span lang="EN-US" style="font-size:11.0pt;mso-fareast-language:EN-US">export OMP_STACKSIZE=16M<o:p></o:p></span></li></ul>
<p class="MsoNormal"><span lang="EN-US" style="font-size:11.0pt;mso-fareast-language:EN-US"><o:p> </o:p></span></p>
<p class="MsoNormal"><span lang="EN-US" style="font-size:11.0pt;mso-fareast-language:EN-US">HTH<o:p></o:p></span></p>
<p class="MsoNormal"><span lang="EN-US" style="font-size:11.0pt;mso-fareast-language:EN-US"><o:p> </o:p></span></p>
<p class="MsoNormal"><span lang="EN-US" style="font-size:11.0pt;mso-fareast-language:EN-US">Matthias<o:p></o:p></span></p>
<p class="MsoNormal"><span lang="EN-US" style="font-size:11.0pt;mso-fareast-language:EN-US"><o:p> </o:p></span></p>
<div style="border:none;border-top:solid #B5C4DF 1.0pt;padding:3.0pt 0cm 0cm 0cm">
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<b><span lang="EN-IN" style="font-size:12.0pt;color:black">From: </span></b><span lang="EN-IN" style="font-size:12.0pt;color:black">cp2k@googlegroups.com <cp2k@googlegroups.com> on behalf of SHWETA CHOUDHARY <shwetaresearchsite@gmail.com><br>
<b>Date: </b>Wednesday, 26 April 2023 at 09:31<br>
<b>To: </b>cp2k <cp2k@googlegroups.com><br>
<b>Subject: </b>[CP2K:18721] segmentation fault in error file<o:p></o:p></span></p>
</div>
<p class="MsoNormal" style="margin-left:36.0pt"><span class="DefaultFontHxMailStyle"><span lang="EN-IN" style="font-size:12.0pt">Hello everyone,</span></span><span lang="EN-IN" style="font-size:11.0pt"><o:p></o:p></span></p>
<p class="MsoNormal" style="margin-left:36.0pt"><span class="DefaultFontHxMailStyle"><span lang="EN-IN" style="font-size:12.0pt"> </span></span><span lang="EN-IN" style="font-size:11.0pt"><o:p></o:p></span></p>
<p class="MsoNormal" style="margin-left:36.0pt"><span class="DefaultFontHxMailStyle"><span lang="EN-IN" style="font-size:12.0pt">Can anybody please help me with the following error in my error file? I have recently installed cp2k 8.2 version using intel-minimal.psmp
arch file with intel 2018 compiler, gcc and fftw. Please guide me with job script and compilation. </span></span><span lang="EN-IN" style="font-size:11.0pt"><o:p></o:p></span></p>
<p class="MsoNormal" style="margin-left:36.0pt"><span class="DefaultFontHxMailStyle"><span lang="EN-IN" style="font-size:12.0pt"> </span></span><span lang="EN-IN" style="font-size:11.0pt"><o:p></o:p></span></p>
<p class="MsoNormal" style="margin-left:36.0pt"><span class="DefaultFontHxMailStyle"><span lang="EN-IN" style="font-size:12.0pt">forrtl: severe (174): SIGSEGV, segmentation fault occurred</span></span><span lang="EN-IN" style="font-size:11.0pt"><o:p></o:p></span></p>
<p class="MsoNormal" style="margin-left:36.0pt"><span class="DefaultFontHxMailStyle"><span lang="EN-IN" style="font-size:12.0pt">Image PC Routine Line Source</span></span><span lang="EN-IN" style="font-size:11.0pt"><o:p></o:p></span></p>
<p class="MsoNormal" style="margin-left:36.0pt"><span class="DefaultFontHxMailStyle"><span lang="EN-IN" style="font-size:12.0pt">cp2k.psmp 000000000981FE2D Unknown Unknown Unknown</span></span><span lang="EN-IN" style="font-size:11.0pt"><o:p></o:p></span></p>
<p class="MsoNormal" style="margin-left:36.0pt"><span class="DefaultFontHxMailStyle"><span lang="EN-IN" style="font-size:12.0pt">libpthread-2.17.s 00007FE4F42D9630 Unknown Unknown Unknown</span></span><span lang="EN-IN" style="font-size:11.0pt"><o:p></o:p></span></p>
<p class="MsoNormal" style="margin-left:36.0pt"><span class="DefaultFontHxMailStyle"><span lang="EN-IN" style="font-size:12.0pt">cp2k.psmp 0000000002D1A2C1 ps_implicit_metho 240 ps_implicit_methods.F</span></span><span lang="EN-IN" style="font-size:11.0pt"><o:p></o:p></span></p>
<p class="MsoNormal" style="margin-left:36.0pt"><span class="DefaultFontHxMailStyle"><span lang="EN-IN" style="font-size:12.0pt">cp2k.psmp 0000000002C3DDF3 pw_poisson_method 343 pw_poisson_methods.F</span></span><span lang="EN-IN" style="font-size:11.0pt"><o:p></o:p></span></p>
<p class="MsoNormal" style="margin-left:36.0pt"><span class="DefaultFontHxMailStyle"><span lang="EN-IN" style="font-size:12.0pt">cp2k.psmp 0000000001037104 qs_ks_methods_mp_ 438 qs_ks_methods.F</span></span><span lang="EN-IN" style="font-size:11.0pt"><o:p></o:p></span></p>
<p class="MsoNormal" style="margin-left:36.0pt"><span class="DefaultFontHxMailStyle"><span lang="EN-IN" style="font-size:12.0pt">cp2k.psmp 00000000010357E0 qs_ks_methods_mp_ 1223 qs_ks_methods.F</span></span><span lang="EN-IN" style="font-size:11.0pt"><o:p></o:p></span></p>
<p class="MsoNormal" style="margin-left:36.0pt"><span class="DefaultFontHxMailStyle"><span lang="EN-IN" style="font-size:12.0pt">cp2k.psmp 0000000001B23BD9 qs_scf_mp_scf_env 462 qs_scf.F</span></span><span lang="EN-IN" style="font-size:11.0pt"><o:p></o:p></span></p>
<p class="MsoNormal" style="margin-left:36.0pt"><span class="DefaultFontHxMailStyle"><span lang="EN-IN" style="font-size:12.0pt">cp2k.psmp 0000000001B1A269 qs_scf_mp_scf_ 233 qs_scf.F</span></span><span lang="EN-IN" style="font-size:11.0pt"><o:p></o:p></span></p>
<p class="MsoNormal" style="margin-left:36.0pt"><span class="DefaultFontHxMailStyle"><span lang="EN-IN" style="font-size:12.0pt">cp2k.psmp 00000000010A8D6F qs_energy_mp_qs_e 92 qs_energy.F</span></span><span lang="EN-IN" style="font-size:11.0pt"><o:p></o:p></span></p>
<p class="MsoNormal" style="margin-left:36.0pt"><span class="DefaultFontHxMailStyle"><span lang="EN-IN" style="font-size:12.0pt">cp2k.psmp 0000000001919CC1 qs_force_mp_qs_ca 116 qs_force.F</span></span><span lang="EN-IN" style="font-size:11.0pt"><o:p></o:p></span></p>
<p class="MsoNormal" style="margin-left:36.0pt"><span class="DefaultFontHxMailStyle"><span lang="EN-IN" style="font-size:12.0pt">cp2k.psmp 000000000117BA3A force_env_methods 271 force_env_methods.F</span></span><span lang="EN-IN" style="font-size:11.0pt"><o:p></o:p></span></p>
<p class="MsoNormal" style="margin-left:36.0pt"><span class="DefaultFontHxMailStyle"><span lang="EN-IN" style="font-size:12.0pt">cp2k.psmp 0000000000667A1C cp2k_runs_mp_run_ 352 cp2k_runs.F</span></span><span lang="EN-IN" style="font-size:11.0pt"><o:p></o:p></span></p>
<p class="MsoNormal" style="margin-left:36.0pt"><span class="DefaultFontHxMailStyle"><span lang="EN-IN" style="font-size:12.0pt">cp2k.psmp 000000000065E192 MAIN__ 357 cp2k.F</span></span><span lang="EN-IN" style="font-size:11.0pt"><o:p></o:p></span></p>
<p class="MsoNormal" style="margin-left:36.0pt"><span class="DefaultFontHxMailStyle"><span lang="EN-IN" style="font-size:12.0pt">cp2k.psmp 000000000065D50E Unknown Unknown Unknown</span></span><span lang="EN-IN" style="font-size:11.0pt"><o:p></o:p></span></p>
<p class="MsoNormal" style="margin-left:36.0pt"><span class="DefaultFontHxMailStyle"><span lang="EN-IN" style="font-size:12.0pt">libc-2.17.so 00007FE4F3839555 __libc_start_main Unknown Unknown</span></span><span lang="EN-IN" style="font-size:11.0pt"><o:p></o:p></span></p>
<p class="MsoNormal" style="margin-left:36.0pt"><span class="DefaultFontHxMailStyle"><span lang="EN-IN" style="font-size:12.0pt">cp2k.psmp 000000000065D429 Unknown Unknown Unknown</span></span><span lang="EN-IN" style="font-size:11.0pt"><o:p></o:p></span></p>
<p class="MsoNormal" style="margin-left:36.0pt"><span class="DefaultFontHxMailStyle"><span lang="EN-IN" style="font-size:12.0pt">srun: Job 113192 step creation still disabled, retrying (Requested nodes are busy)</span></span><span lang="EN-IN" style="font-size:11.0pt"><o:p></o:p></span></p>
<p class="MsoNormal" style="margin-left:36.0pt"><span class="DefaultFontHxMailStyle"><span lang="EN-IN" style="font-size:12.0pt">srun: Job 113192 step creation still disabled, retrying (Requested nodes are busy)</span></span><span lang="EN-IN" style="font-size:11.0pt"><o:p></o:p></span></p>
<p class="MsoNormal" style="margin-left:36.0pt"><span class="DefaultFontHxMailStyle"><span lang="EN-IN" style="font-size:12.0pt">srun: Job 113192 step creation still disabled, retrying (Requested nodes are busy)</span></span><span lang="EN-IN" style="font-size:11.0pt"><o:p></o:p></span></p>
<p class="MsoNormal" style="margin-left:36.0pt"><span class="DefaultFontHxMailStyle"><span lang="EN-IN" style="font-size:12.0pt">srun: Job 113192 step creation still disabled, retrying (Requested nodes are busy)</span></span><span lang="EN-IN" style="font-size:11.0pt"><o:p></o:p></span></p>
<p class="MsoNormal" style="margin-left:36.0pt"><span class="DefaultFontHxMailStyle"><span lang="EN-IN" style="font-size:12.0pt">srun: Job 113192 step creation still disabled, retrying (Requested nodes are busy)</span></span><span lang="EN-IN" style="font-size:11.0pt"><o:p></o:p></span></p>
<p class="MsoNormal" style="margin-left:36.0pt"><span class="DefaultFontHxMailStyle"><span lang="EN-IN" style="font-size:12.0pt">srun: Job 113192 step creation still disabled, retrying (Requested nodes are busy)</span></span><span lang="EN-IN" style="font-size:11.0pt"><o:p></o:p></span></p>
<p class="MsoNormal" style="margin-left:36.0pt"><span class="DefaultFontHxMailStyle"><span lang="EN-IN" style="font-size:12.0pt">srun: Job 113192 step creation still disabled, retrying (Requested nodes are busy)</span></span><span lang="EN-IN" style="font-size:11.0pt"><o:p></o:p></span></p>
<p class="MsoNormal" style="margin-left:36.0pt"><span class="DefaultFontHxMailStyle"><span lang="EN-IN" style="font-size:12.0pt">srun: Step created for job 113192</span></span><span lang="EN-IN" style="font-size:11.0pt"><o:p></o:p></span></p>
<p class="MsoNormal" style="margin-left:36.0pt"><span class="DefaultFontHxMailStyle"><span lang="EN-IN" style="font-size:12.0pt">srun: Job 113192 step creation still disabled, retrying (Requested nodes are busy)</span></span><span lang="EN-IN" style="font-size:11.0pt"><o:p></o:p></span></p>
<p class="MsoNormal" style="margin-left:36.0pt"><span class="DefaultFontHxMailStyle"><span lang="EN-IN" style="font-size:12.0pt">srun: Job 113192 step creation still disabled, retrying (Requested nodes are busy)</span></span><span lang="EN-IN" style="font-size:11.0pt"><o:p></o:p></span></p>
<p class="MsoNormal" style="margin-left:36.0pt"><span class="DefaultFontHxMailStyle"><span lang="EN-IN" style="font-size:12.0pt"> </span></span><span lang="EN-IN" style="font-size:11.0pt"><o:p></o:p></span></p>
<p class="MsoNormal" style="margin-left:36.0pt"><span class="DefaultFontHxMailStyle"><span lang="EN-IN" style="font-size:12.0pt"> </span></span><span lang="EN-IN" style="font-size:11.0pt"><o:p></o:p></span></p>
<p class="MsoNormal" style="margin-left:36.0pt"><span class="DefaultFontHxMailStyle"><span lang="EN-IN" style="font-size:12.0pt">Many thanks!</span></span><span lang="EN-IN" style="font-size:11.0pt"><o:p></o:p></span></p>
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