From d2140c5917891df45c4b70ad7d88fc62c78b1ab9 Mon Sep 17 00:00:00 2001
From: Abdullah Alperen <alperena@msu.edu>
Date: Tue, 20 Feb 2018 09:41:57 -0500
Subject: [PATCH] bug fixed in the setup of SAI
---
sPuReMD/src/lin_alg.c | 12 ++++++++++--
1 file changed, 10 insertions(+), 2 deletions(-)
diff --git a/sPuReMD/src/lin_alg.c b/sPuReMD/src/lin_alg.c
index 5ddead00..23eed875 100644
--- a/sPuReMD/src/lin_alg.c
+++ b/sPuReMD/src/lin_alg.c
@@ -308,7 +308,11 @@ void setup_sparse_approx_inverse( const sparse_matrix * const A, sparse_matrix *
for( i = left; i <= right ; ++i )
{
- list[i] = abs( A->val[i] );
+ list[i] = A->val[i];
+ if(list[i] < 0.0)
+ {
+ list[i] = -list[i];
+ }
}
turn = 0;
@@ -362,6 +366,11 @@ void setup_sparse_approx_inverse( const sparse_matrix * const A, sparse_matrix *
}
}
+ if(threshold < 1.000000)
+ {
+ threshold = 1.000001;
+ }
+
sfree( list, "setup_sparse_approx_inverse::list" );
/* fill sparsity pattern */
@@ -382,7 +391,6 @@ void setup_sparse_approx_inverse( const sparse_matrix * const A, sparse_matrix *
}
(*A_spar_patt)->start[A->n] = size;
-
compute_full_sparse_matrix( A, A_full );
compute_full_sparse_matrix( *A_spar_patt, A_spar_patt_full );
--
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