<div dir="ltr"><img width="0" height="0" class="mailtrack-img" alt="" style="display:flex" src="https://mailtrack.io/trace/mail/79e4024d1a9674d1d054f2e907f32ba62168d3ed.png?u=1287386"><div></div>Hello,<div>I downloaded the example H2O-32.inp file as an example file to run the cp2k in the cluster.</div><div>So when i gave the command as:</div><div>cp2k.sopt -i H2O-32.inp</div>I got the following errors...<div><br></div><div><div>DBCSR| Multiplication driver                                               BLAS</div><div> DBCSR| Multrec recursion limit                                              512</div><div> DBCSR| Multiplication stack size                                           1000</div><div> DBCSR| Maximum elements for images                                    UNLIMITED</div><div> DBCSR| Multiplicative factor virtual images                                   1</div><div> DBCSR| Multiplication size stacks                                             3</div></div><div>.</div><div>.</div><div>.</div><div><div>*******************************************************************************</div><div> *   ___                                                                       *</div><div> *  /   \                                                                      *</div><div> * [ABORT]   The specified OLD file <data/GTH_BASIS_SETS> cannot be opened. It *</div><div> *  \___/                  does not exist. Data directory path:                *</div><div> *    |                  /apps/scratch/compile/cp2k/cp2k-5.1/data              *</div><div> *  O/|                                                                        *</div><div> * /| |                                                                        *</div><div> * / \                                                   common/cp_files.F:399 *</div><div> *******************************************************************************</div><div><br></div><div><br></div><div> ===== Routine Calling Stack ===== </div></div><div><div><br></div><div>            3 read_qs_kind</div><div>            2 create_qs_kind_set</div><div>            1 CP2K</div><div><br></div><div>Program received signal SIGABRT: Process abort signal.</div><div><br></div><div>Backtrace for this error:</div><div>#0  0x7FCE43DCC467</div><div>#1  0x7FCE43DCCAAE</div><div>#2  0x7FCE432D366F</div><div>#3  0x7FCE432D35F7</div><div>#4  0x7FCE432D4CE7</div><div>#5  0x2876268 in __message_passing_MOD_mp_abort</div><div>#6  0x28D4817 in __base_hooks_MOD_cp_abort</div><div>#7  0x28D49C3 in __base_hooks_MOD_cp(bool)</div><div>#8  0x276DEDA in __cp_files_MOD_open_file</div><div>#9  0x23E4242 in __cp_parser_types_MOD_parser_create</div><div>#10  0x2347974 in __basis_set_types_MOD_read_gto_basis_set1</div><div>#11  0xBDE29E in __qs_kind_types_MOD_create_qs_kind_set</div><div>#12  0x17AFA3D in __qs_subsys_methods_MOD_qs_subsys_create</div><div>#13  0xFBCCA9 in __qs_environment_MOD_qs_init</div><div>#14  0xB4C341 in __f77_interface_MOD_create_force_env</div><div>#15  0x6558F5 in __cp2k_runs_MOD_cp2k_run at cp2k_runs.F90:?</div><div>#16  0x65996F in __cp2k_runs_MOD_run_input</div><div>#17  0x643948 in MAIN__ at cp2k.F90:?</div><div>Aborted (core dumped)</div></div><div><br></div><div>Why is this error coming... it states that "The specified OLD file <data/GTH_BASIS_SETS..." so is this H2O-32.inp an old version file..??</div><div><br></div><div>I am using cp2k version 5.1. so is this issue making any issues..??</div><div><br></div><div>I have attached the H2O-32.inp file...</div><div><br></div><div><br></div><div><br></div><div><br></div><div><br></div><div><br></div><div><br></div><div><br></div><div><br></div><div><br></div><div><br><div>-- <br><div class="gmail_signature"><div dir="ltr"><div><div dir="ltr"><div dir="ltr"><div dir="ltr"><div dir="ltr">With Best Regards,<div><br></div><div>DILIP.H.N<div>Ph.D. Student</div></div></div></div></div></div></div></div></div>
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