QMCPACK / QMCPACK/qmcpack

Unreasonably large difference between Ewald and MPC

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Description

**Describe the bug**
%6 difference was observed between ElecElec and MPC:

ElecElec value is 62.106388 +/- 0.010347
and MPC value is 66.049150 +/- 0.010230.

The difference is incomparative with the kinetic energy correction:

KEcorr value is 0.004562 +/- 0.000003

**Expected behavior**
The order of (MPC-ElecElec) is comparable with KEcorr.

**To Reproduce** and **System:**
Go to qmc directory in the attached archive file and perform qmca commands:

qmca -e 200 -a -q ee *s003.scalar.dat
qmca -e 200 -a -q mpc *s003.scalar.dat
qmca -e 200 -a -q kc *s003.scalar.dat

The QMC run was performed on Summit in ORNL.
The job submission script is qmc.bsub.in.
The binary was compiled by Ye Luo for GPU.
I am not sure how the binary was compiled.
The binary version is

Last git commit: 0deb911fe962748e1052decb89cd866ca9b6de25-dirty
Last git commit date: Tue Aug 25 16:31:23 2020 -0500
Last git commit subject: Update bora nightly test script.

[send.zip](https://github.com/QMCPACK/qmcpack/files/6133877/send.zip)

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