From eea553db2478885f51ac6e8c6a27cf20e6673b1a Mon Sep 17 00:00:00 2001
From: Vaibhav Khanna <114526098+Vaibhav-Chemistry@users.noreply.github.com>
Date: Wed, 1 Apr 2026 16:04:03 -0400
Subject: [PATCH 1/2] Update LD_LIBRARY_PATH for libcint path

---
 env.set.local0 | 2 +-
 1 file changed, 1 insertion(+), 1 deletion(-)

diff --git a/env.set.local0 b/env.set.local0
index 24ab402..fe1f3c4 100644
--- a/env.set.local0
+++ b/env.set.local0
@@ -15,7 +15,7 @@ module load cmake
 #module load libcint
 #export LD_LIBRARY_PATH=$LD_LIBRARY_PATH:/home/ndmeier/libraries/libcint/lib64
 #export LIBCINT_PATH=/home/ndmeier/libraries/libcint
-export LD_LIBRARY_PATH=$LD_LIBRARY_PATH:/home/paulzim/libcint-master/
+export LD_LIBRARY_PATH=$LD_LIBRARY_PATH:/home/paulzim/libcint-master/lib64
 export LIBCINT_PATH=/home/paulzim/libcint-master/
 
 

From d4d851de94120a31884e01be7990583357523f14 Mon Sep 17 00:00:00 2001
From: Alexander Stark <115094505+alstark1@users.noreply.github.com>
Date: Wed, 1 Apr 2026 16:49:01 -0400
Subject: [PATCH 2/2] Add conditional compilation for GPU solver

Wrapped GPU solver in conditional compilation to allow fallback to CPU solver.
---
 src/integrals/cuda_util.cpp | 5 +++++
 1 file changed, 5 insertions(+)

diff --git a/src/integrals/cuda_util.cpp b/src/integrals/cuda_util.cpp
index 8926b9f..1e8b47f 100644
--- a/src/integrals/cuda_util.cpp
+++ b/src/integrals/cuda_util.cpp
@@ -1171,6 +1171,9 @@ int invert_cusolver(int N, double* A, cusolverDnHandle_t& cu_hdl)
 
 void solve_axeb_gpu(int dim, double* A, double* b, cusolverDnHandle_t& cu_hdl)
 {
+  #if !USE_ACC
+    solve_axeb(dim,A,b);
+  #else
   int* d_info = new int[1];
   int* d_ipiv = new int[dim];
   double* d_X = new double[dim];
@@ -1212,5 +1215,7 @@ void solve_axeb_gpu(int dim, double* A, double* b, cusolverDnHandle_t& cu_hdl)
   delete [] d_ipiv;
   delete [] d_X;
 
+  #endif
+
   return;
 }