From e188871df463a5933873f9b3fa6a5208bfae7dc3 Mon Sep 17 00:00:00 2001
From: Francois Coppens <francois.coppens@uvsq.fr>
Date: Thu, 22 Jul 2021 10:20:29 +0200
Subject: [PATCH] Fixed unsigned int/uint64_t/H5::PredType::STD_U32LE problem
 in qmckl_test_h5.cpp that caused the segmentation faults due to array indices
 running out of bounds. Naive Sherman-Morrison and Woodbury 2x2 kernels are
 working correctly from QMCkl with good accuracy.

Residual = sm1 23 2.665e-07 5.85161e-13
ok -- cycle 23
Residual = qmckl_sm1 23 2.665e-07 5.85161e-13
ok -- cycle 23
Residual = wb2 23 2.665e-07 5.85161e-13
ok -- cycle 23
Residual = qmckl_wb2 23 2.665e-07 5.85161e-13
ok -- cycle 23
---
 qmckl                   |  2 +-
 tests/qmckl_test_h5.cpp | 10 +++++-----
 2 files changed, 6 insertions(+), 6 deletions(-)

diff --git a/qmckl b/qmckl
index 11eee81..fdb8f5d 160000
--- a/qmckl
+++ b/qmckl
@@ -1 +1 @@
-Subproject commit 11eee81f847c07047629332fd0012d55ae2945e2
+Subproject commit fdb8f5d50a47537b85fda5f64cc35fcd10683bd9
diff --git a/tests/qmckl_test_h5.cpp b/tests/qmckl_test_h5.cpp
index 99bbaca..93b64d2 100644
--- a/tests/qmckl_test_h5.cpp
+++ b/tests/qmckl_test_h5.cpp
@@ -21,7 +21,7 @@ const H5std_string FILE_NAME("dataset.hdf5");
 
 void read_int(H5::H5File file, std::string key, uint64_t *data) {
   H5::DataSet ds = file.openDataSet(key);
-  ds.read(data, H5::PredType::STD_U32LE);
+  ds.read(data, H5::PredType::STD_U64LE);
   ds.close();
 }
 
@@ -72,7 +72,7 @@ int test_cycle(H5::H5File file, int cycle, std::string version, double tolerance
 
 #ifdef PERF
   double *slater_inverse_nonpersistent = new double[dim * dim];
-  if (version == "sm1") {
+  if (version == "qmckl_sm1") {
     for (unsigned int i = 0; i < repetition_number; i++) {
       memcpy(slater_inverse_nonpersistent, slater_inverse,
                   dim * dim * sizeof(double));
@@ -83,7 +83,7 @@ int test_cycle(H5::H5File file, int cycle, std::string version, double tolerance
         u, col_update_index, slater_inverse_nonpersistent);
     }
   }
-  else if (version == "wb2") {
+  else if (version == "qmckl_wb2") {
     for (unsigned int i = 0; i < repetition_number; i++) {
       memcpy(slater_inverse_nonpersistent, slater_inverse,
                   dim * dim * sizeof(double));
@@ -102,14 +102,14 @@ int test_cycle(H5::H5File file, int cycle, std::string version, double tolerance
               dim * dim * sizeof(double));
   delete[] slater_inverse_nonpersistent;
 #else //  No performance measurements repetition
-  if (version == "sm1") {
+  if (version == "qmckl_sm1") {
     qmckl_context context;
     context = qmckl_context_create();
     qmckl_exit_code rc;
     rc = qmckl_sherman_morrison_c(context, dim, nupdates,
       u, col_update_index, slater_inverse);
   }
-  else if (version == "wb2") {
+  else if (version == "qmckl_wb2") {
     qmckl_context context;
     context = qmckl_context_create();
     qmckl_exit_code rc;