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Development version of plumed 2
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sum_hills error #1135

Closed KrishnenduSinha12 closed 3 days ago

KrishnenduSinha12 commented 3 days ago

I am trying to get free energy surface after metadynamics simulation but sum_hills shows following error : "terminate called after throwing an instance of 'std::length_error' what(): cannot create std::vector larger than max_size() Aborted (core dumped)" My HILLs file is attached HILLS.csv

GiovanniBussi commented 3 days ago

You are using too many CVs (10) and sum_hills cannot allocate the required memory.

You can try to use reweighting as explained in tutorials to recover the free energy profile as a function of a limited number of CVs