<div dir="ltr"><div>Dear Prof. Hutter, <br></div><div><br></div><div>Thank you for your reply, <br></div><div>That must be the case since I was using the 5.1 version</div><div><br></div><div><br></div><div>best, <br></div><div><br></div><div>Andres O.<br></div><br>El jueves, 30 de agosto de 2018, 9:16:28 (UTC+2), jgh escribió:<blockquote class="gmail_quote" style="margin: 0;margin-left: 0.8ex;border-left: 1px #ccc solid;padding-left: 1ex;">Hi
<br>
<br>I think this option is only available in a more recent version of CP2K.
<br>
<br>best
<br>
<br>Juerg
<br>------------------------------<wbr>------------------------------<wbr>--
<br>Juerg Hutter                         Phone : ++41 44 635 4491
<br>Institut für Chemie C                FAX   : ++41 44 635 6838
<br>Universität Zürich                   E-mail: <a href="javascript:" target="_blank" gdf-obfuscated-mailto="642M-SjeEAAJ" rel="nofollow" onmousedown="this.href='javascript:';return true;" onclick="this.href='javascript:';return true;">hut...@chem.uzh.ch</a>
<br>Winterthurerstrasse 190
<br>CH-8057 Zürich, Switzerland
<br>------------------------------<wbr>------------------------------<wbr>---
<br>
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<br>From: "Andres Ortega" 
<br>Sent by: <a href="javascript:" target="_blank" gdf-obfuscated-mailto="642M-SjeEAAJ" rel="nofollow" onmousedown="this.href='javascript:';return true;" onclick="this.href='javascript:';return true;">cp...@googlegroups.com</a>
<br>Date: 08/28/2018 11:31AM
<br>Subject: [CP2K:10681] Symmetr monoclinic gamma ab
<br>
<br>Dear CP2K Users, 
<br> 
<br>I have been trying to do a cell optimization calculations using a symmetry restrain, MONOCLINIC_GAMMA_AB. 
<br>However when I included in 
<br>     
<br>     &CELL
<br>        ABC 42.680 42.680 16.660
<br>        ALPHA_BETA_GAMMA 90 90 120
<br>       PERIODIC  XYZ
<br>       MULTIPLE_UNIT_CELL  1 1 1
<br>       SYMMETRY MONOCLINIC_GAMMA_AB
<br>     &END CELL
<br>
<br>I get this error
<br>
<br>invalid value for enumeration:MONOCLINIC_GAMMA_<wbr>AB         *
<br> *    |                                                                        *
<br> *  O/|                                                                        *
<br> * /| |                                                                        *
<br> * / \                                     input/input_enumeration_types.<wbr>F:226 *
<br> *****************************<wbr>******************************<wbr>********************
<br>
<br>
<br> ===== Routine Calling Stack =====
<br>
<br>            6 val_create_parsing
<br>            5 section_vals_parse
<br>            4 section_vals_parse
<br>            3 section_vals_parse
<br>            2 section_vals_parse
<br>            1 read_input
<br>Rank 0 [Tue Aug 28 09:37:22 2018] [c1-1c0s7n1] application called MPI_Abort(MPI_COMM_WORLD, 1) - process 0
<br>
<br>Program received signal SIGABRT: Process abort signal.
<br>
<br>Backtrace for this error:
<br>
<br>Program received signal SIGSEGV: Segmentation fault - invalid memory reference.
<br>
<br>I was wondering if you could help me to figure it out why this isnt working?
<br>
<br>
<br>best, 
<br>
<br>Andres Ortega Guerrero.
<br>EPFL - LSMO
<br>  
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<br></blockquote></div>