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From: | Evyatar Arad |
Subject: | Re: [ESPResSo-users] update: Error Loading Checkpoints |
Date: | Fri, 17 Jul 2015 15:02:46 +0300 |
Hi Axel, thanks for replying :) I tried editing main.tcl by switching these lines: “ blockfile channel write variable {varname1 varname2 ...} blockfile $out write start "variable" puts $out "time [setmd time]" blockfile $out write end blockfile $out write start "variable" #puts $out "box_l $box_l" blockfile $out write end blockfile $out write start "variable" puts $out "npt_p_diff [setmd npt_p_diff]" blockfile $out write end “ with this one blockfile $out write variable {time npt_p_diff} I assume that wasn’t what you intended as it produced the following error while running: ::mbtools::utils > reading Checkpoint ./simplebilayer//checkpoint.latest.gz background_errors 0 {013 box_l in direction 0 is too small} {013 box_l in direction 1 is too small} {013 box_l in direction 2 is too small} {002 interaction range 1.5 in direction 0 is larger than the local box size 1} {002 interaction range 1.5 in direction 1 is larger than the local box size 1} {002 interaction range 1.5 in direction 2 is larger than the local box size 1} {001 number of cells 1 is smaller than minimum 8 (interaction range too large or min_num_cells too large)} while executing "inter 0 FENE 30.0 1.5 0.0" ("eval" body line 1) invoked from within "eval "inter $d" " (procedure "blockfile" line 3) invoked from within "blockfile $in read auto" (procedure "::mbtools::utils::readcheckpoint" line 11) invoked from within "::mbtools::utils::readcheckpoint $outputdir " invoked from within "set checkpointexists [ ::mbtools::utils::readcheckpoint $outputdir ]" (file "./scripts/main.tcl" line 103) All the best, Evy
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