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Improved configure for nvc

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This commit is contained in:
Anthony Scemama 2023-09-14 11:00:24 +02:00
parent c66188e641
commit 561373fe4f
3 changed files with 18 additions and 7 deletions
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13
configure.ac
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@ -304,10 +304,21 @@ AC_MSG_RESULT([$ivdep])
# Checking ALIGNED
AC_CHECK_FUNCS([aligned_alloc], [have_aligned_alloc=yes], [have_aligned_alloc=no])
AC_MSG_CHECKING([for aligned_alloc])
AC_COMPILE_IFELSE([AC_LANG_PROGRAM([[
]], [[
int main() {
void * pointer = aligned_alloc(64, 100);
free(pointer);
return 0;
}
]])],
[have_aligned_alloc=yes], [have_aligned_alloc=no
])
AS_IF([test "x$have_aligned_alloc" = "xyes"], [
AC_DEFINE([HAVE_ALIGNED_ALLOC], [1], [Define to 1 if you have the aligned_alloc function.])
])
AC_MSG_RESULT([$have_aligned_alloc])
aligned=""
AC_MSG_CHECKING([for vector aligned pragma])

8
org/qmckl_ao.org
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@ -3846,7 +3846,7 @@ print ( "[7][4][26] : %e"% lf(a,x,y))
assert(qmckl_electron_provided(context));
const int64_t point_num = elec_num;
int64_t point_num = elec_num;
rc = qmckl_set_point(context, 'N', point_num, elec_coord, point_num*3);
assert(rc == QMCKL_SUCCESS);
@ -4261,7 +4261,7 @@ print ( "[1][4][26] : %25.15e"% lf(a,x,y))
assert(qmckl_electron_provided(context));
const int64_t point_num = elec_num;
int64_t point_num = elec_num;
rc = qmckl_set_point(context, 'N', point_num, elec_coord, point_num*3);
assert(rc == QMCKL_SUCCESS);
@ -6310,7 +6310,7 @@ double* elec_coord = &(chbrclf_elec_coord[0][0][0]);
assert(qmckl_electron_provided(context));
const int64_t point_num = elec_num;
int64_t point_num = elec_num;
rc = qmckl_set_point(context, 'N', point_num, elec_coord, point_num*3);
assert(rc == QMCKL_SUCCESS);
@ -7261,7 +7261,7 @@ double* elec_coord = &(chbrclf_elec_coord[0][0][0]);
assert(qmckl_electron_provided(context));
const int64_t point_num = elec_num;
int64_t point_num = elec_num;
rc = qmckl_set_point(context, 'N', point_num, elec_coord, point_num*3);
assert(rc == QMCKL_SUCCESS);

4
org/qmckl_mo.org
View File

@ -2810,11 +2810,11 @@ print ( "[4][1][15][14] : %25.15e"% lf(a,x,y))
int64_t elec_up_num = chbrclf_elec_up_num;
int64_t elec_dn_num = chbrclf_elec_dn_num;
double* elec_coord = &(chbrclf_elec_coord[0][0][0]);
const int64_t nucl_num = chbrclf_nucl_num;
int64_t nucl_num = chbrclf_nucl_num;
const double* nucl_charge = chbrclf_charge;
const double* nucl_coord = &(chbrclf_nucl_coord[0][0]);
const int64_t point_num = walk_num*elec_num;
int64_t point_num = walk_num*elec_num;
rc = qmckl_set_electron_num (context, elec_up_num, elec_dn_num);
assert (rc == QMCKL_SUCCESS);