Closed prckent closed 1 month ago
dryrun will exit cleanly (zero error code) rather than QMCPACK aborting. Small edits to docs and comments.
Hamiltonian h0 Kinetic Kinetic energy LocalECP CoulombPBCAB potential source: ion0 NonLocalECP NonLocalECPotential: ion0 ElecElec CoulombPBCAA potential: e_e IonIon CoulombPBCAA potential: ion0_ion0 dryrun == 1 : Skipping all QMC and loop elements Use --enable-timers=<value> command line option to increase or decrease level of timing information Stack timer profile Timer Inclusive_time Exclusive_time Calls Time_per_call Startup 54.0524 54.0524 1 54.052436786 QMCPACK execution completed successfully
Ubuntu 22.04 gcc 11.4.0
Test this please
Proposed changes
dryrun will exit cleanly (zero error code) rather than QMCPACK aborting. Small edits to docs and comments.
What type(s) of changes does this code introduce?
Does this introduce a breaking change?
What systems has this change been tested on?
Ubuntu 22.04 gcc 11.4.0
Checklist