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Fix: fix exx_gamma_extrapolation error in MPI
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+5
-2
lines changed

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+5
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source/source_pw/module_pwdft/operator_pw/op_exx_pw.cpp

Lines changed: 5 additions & 2 deletions
Original file line numberDiff line numberDiff line change
@@ -1,11 +1,12 @@
11
#include "source_base/constants.h"
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#include "source_base/global_variable.h"
3+
#include "source_base/parallel_common.h"
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#include "source_base/parallel_reduce.h"
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#include "source_base/timer.h"
6+
#include "source_base/tool_quit.h"
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#include "source_cell/klist.h"
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#include "source_hamilt/operator.h"
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#include "source_psi/psi.h"
8-
#include "source_base/tool_quit.h"
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#include <cmath>
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#include <complex>
@@ -54,7 +55,9 @@ OperatorEXXPW<T, Device>::OperatorEXXPW(const int* isk_in,
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: isk(isk_in), wfcpw(wfcpw_in), rhopw(rhopw_in), kv(kv_in), ucell(ucell)
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{
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gamma_extrapolation = PARAM.inp.exx_gamma_extrapolation;
57-
if (!kv_in->get_is_mp())
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bool is_mp = kv_in->get_is_mp();
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Parallel_Common::bcast_bool(is_mp);
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if (!is_mp)
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{
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gamma_extrapolation = false;
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}

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