From 59f5b5b55bb062e6286dd1bec4c79bf25e9dced4 Mon Sep 17 00:00:00 2001
From: Chris Maffeo <cmaffeo2@illinois.edu>
Date: Fri, 6 Jan 2017 20:53:06 +0000
Subject: [PATCH] Fixed bug when number of bonded files in config exceeded 10
---
src/Configuration.cpp | 6 +++---
src/GrandBrownTown.cu | 7 ++++++-
2 files changed, 9 insertions(+), 4 deletions(-)
diff --git a/src/Configuration.cpp b/src/Configuration.cpp
index fc8400d..3ba6601 100644
--- a/src/Configuration.cpp
+++ b/src/Configuration.cpp
@@ -726,7 +726,7 @@ int Configuration::readParameters(const char * config_file) {
btfcap *= 2;
bondTableFile = new String[btfcap];
for (int j = 0; j < numTabBondFiles; j++)
- bondTableFile[i] = temp[i];
+ bondTableFile[j] = temp[j];
delete[] temp;
}
if (readBondFile(value, ++currBond))
@@ -768,7 +768,7 @@ int Configuration::readParameters(const char * config_file) {
atfcap *= 2;
angleTableFile = new String[atfcap];
for (int j = 0; j < numTabAngleFiles; j++)
- angleTableFile[i] = temp[i];
+ angleTableFile[j] = temp[j];
delete[] temp;
}
if (readAngleFile(value, ++currAngle))
@@ -786,7 +786,7 @@ int Configuration::readParameters(const char * config_file) {
dtfcap *= 2;
dihedralTableFile = new String[dtfcap];
for (int j = 0; j < numTabDihedralFiles; j++)
- dihedralTableFile[i] = temp[i];
+ dihedralTableFile[j] = temp[j];
delete[] temp;
}
if (readDihedralFile(value, ++currDihedral))
diff --git a/src/GrandBrownTown.cu b/src/GrandBrownTown.cu
index 9e85ef4..d5271d6 100644
--- a/src/GrandBrownTown.cu
+++ b/src/GrandBrownTown.cu
@@ -205,9 +205,14 @@ GrandBrownTown::GrandBrownTown(const Configuration& c, const char* outArg,
for (int p = 0; p < numTabBondFiles; p++)
if (bondTableFile[p].length() > 0) {
//MLog: make sure to add to all GPUs
+ // printf("...loading %s\n",bondTableFile[p].val());
internal->addBondPotential(bondTableFile[p].val(), p, bonds);
- printf("%s\n",bondTableFile[p].val());
+ // printf("%s\n",bondTableFile[p].val());
+ } else {
+ printf("...skipping %s (\n",bondTableFile[p].val());
+ internal->addBondPotential(bondTableFile[p].val(), p, bonds);
}
+
}
if (c.readAnglesFromFile) {
--
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