<div dir="ltr">I am getting this error while processing .restart file <div>[ojus001@l5.nibi MetaMo_1a]$ graph.psmp -i sys-1 -stride 10 -ndim 2 -ndw 1 2 -cp2k -integrated_fes [mii] Please select a module to run graph.psmp: MODULE PARENT(S) 1 cp2k/2023.1 StdEnv/2023 gcc/12.3 openmpi/4.1.5 2 cp2k/9.1 StdEnv/2020 intel/2020.1.217 openmpi/4.0.3 3 cp2k/8.2 StdEnv/2020 intel/2020.1.217 openmpi/4.0.3 4 cp2k/9.1 StdEnv/2020 gcc/9.3.0 openmpi/4.0.3 5 cp2k/8.2 StdEnv/2020 gcc/9.3.0 openmpi/4.0.3 Make a selection (1-5, q aborts) [1]: 1 [mii] loading StdEnv/2023 gcc/12.3 openmpi/4.1.5 cp2k/2023.1 ... ********************************************************************** FES| Parsing file: <HILLS> ABORT in common/cp_files.F:396 The specified OLD file <HILLS> cannot be opened. It does not exist. Data directory path: /cvmfs/<a href="http://soft.computecanada.ca/easybuild/software/2023/x86-64-v4/MPI/gcc12/openmpi4/cp2k/2023.1/data">soft.computecanada.ca/easybuild/software/2023/x86-64-v4/MPI/gcc12/openmpi4/cp2k/2023.1/data</a> Program received signal SIGABRT: Process abort signal. Backtrace for this error: #0 0x7f8343221b42 in ??? #1 0x7f8343220c35 in ??? #2 0x7f833966378f in ??? #3 0x7f83396b17ac in ??? #4 0x7f83396636f1 in ??? #5 0x7f833964d4b1 in ??? #6 0x517524 in ??? #7 0x517569 in ??? #8 0x41c6f1 in ??? #9 0x404a95 in ??? #10 0x4023fe in ??? #11 0x7f833964e949 in ??? #12 0x7f833964ea04 in ??? #13 0x402430 in ??? #14 0xffffffffffffffff in ??? </div></div> <div class="gmail_quote gmail_quote_container"><div dir="ltr" class="gmail_attr">On Thu, 11 Sept 2025 at 20:58, Kaustubh Pathak <<a href="mailto:kaustubhpathak936@gmail.com">kaustubhpathak936@gmail.com</a>> wrote: </div><blockquote class="gmail_quote" style="margin:0px 0px 0px 0.8ex;border-left:1px solid rgb(204,204,204);padding-left:1ex"><div dir="auto">Restart file means the normal one right or is there some other HILLS file generated for restart.</div> <div class="gmail_quote"><div dir="ltr" class="gmail_attr">On Thu, 11 Sept 2025, 20:30 Marcella Iannuzzi, <<a href="mailto:marci.akira@gmail.com" target="_blank">marci.akira@gmail.com</a>> wrote: </div><blockquote class="gmail_quote" style="margin:0px 0px 0px 0.8ex;border-left:1px solid rgb(204,204,204);padding-left:1ex">Hi ?<div> </div><div>graph.psmp reads a cp2k restar file as input.</div><div>Regards</div><div>Marcella </div><div class="gmail_quote"><div dir="auto" class="gmail_attr">On Wednesday, September 10, 2025 at 9:06:02 AM UTC+2 <a href="mailto:kaustubh...@gmail.com" rel="noreferrer" target="_blank">kaustubh...@gmail.com</a> wrote: </div><blockquote class="gmail_quote" style="margin:0px 0px 0px 0.8ex;border-left:1px solid rgb(204,204,204);padding-left:1ex"><div dir="ltr">I am trying to construct the FES from the command available on the website (graph.psmp -i HILLS -stride 10 -ndim 2 -ndw 1 2 -cp2k -integrated_fes).<div>But I am getting this error <div>[mii] Please select a module to run graph.psmp: MODULE PARENT(S) 1 cp2k/2023.1 StdEnv/2023 gcc/12.3 openmpi/4.1.5 2 cp2k/9.1 StdEnv/2020 intel/2020.1.217 openmpi/4.0.3 3 cp2k/8.2 StdEnv/2020 intel/2020.1.217 openmpi/4.0.3 4 cp2k/9.1 StdEnv/2020 gcc/9.3.0 openmpi/4.0.3 5 cp2k/8.2 StdEnv/2020 gcc/9.3.0 openmpi/4.0.3 Make a selection (1-5, q aborts) [1]: 1 [mii] loading StdEnv/2023 gcc/12.3 openmpi/4.1.5 cp2k/2023.1 ... ********************************************************************** FES| Parsing file: <HILLS> Pattern: &METADYN not found in input file! ABORT in metadyn_tools/graph_utils.F:207 Search failed! Program received signal SIGABRT: Process abort signal. Backtrace for this error: #0 0x7fe683821b42 in ??? #1 0x7fe683820c35 in ??? #2 0x7fe679c6378f in ??? #3 0x7fe679cb17ac in ??? #4 0x7fe679c636f1 in ??? #5 0x7fe679c4d4b1 in ??? #6 0x517524 in ??? #7 0x517569 in ??? #8 0x4183a1 in ??? #9 0x408832 in ??? #10 0x4023fe in ??? #11 0x7fe679c4e949 in ??? #12 0x7fe679c4ea04 in ??? #13 0x402430 in ??? #14 0xffffffffffffffff in ??? </div></div></div> </blockquote></div> -- You received this message because you are subscribed to the Google Groups "cp2k" group. To unsubscribe from this group and stop receiving emails from it, send an email to <a href="mailto:cp2k+unsubscribe@googlegroups.com" rel="noreferrer" target="_blank">cp2k+unsubscribe@googlegroups.com</a>. 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