Commit 169ca1f5 authored by lvs's avatar lvs
Browse files

renamed kernel_minimizer to kernel_sd

parent 97764d64
......@@ -50,7 +50,7 @@ K1_NAME="gpu_calc_initpop"
K2_NAME="gpu_sum_evals"
K3_NAME="perform_LS"
K4_NAME="gpu_gen_and_eval_newpops"
K5_NAME="gradient_minimizer"
K5_NAME="gradient_minSD"
K6_NAME="gradient_minFire"
K_NAMES=-DK1=$(K1_NAME) -DK2=$(K2_NAME) -DK3=$(K3_NAME) -DK4=$(K4_NAME) -DK5=$(K5_NAME) -DK6=$(K6_NAME)
# Kernel flags
......
......@@ -695,5 +695,5 @@ if (get_local_id (0) == 0) {
#include "kernel4.cl"
#include "kernel3.cl"
#include "calcgradient.cl"
#include "kernel_gradient.cl"
#include "kernel_sd.cl"
#include "kernel_fire.cl"
......@@ -16,7 +16,7 @@
//#define DEBUG_INITIAL_2BRT
__kernel void __attribute__ ((reqd_work_group_size(NUM_OF_THREADS_PER_BLOCK,1,1)))
gradient_minimizer(
gradient_minSD(
char dockpars_num_of_atoms,
char dockpars_num_of_atypes,
int dockpars_num_of_intraE_contributors,
......
......@@ -44,7 +44,7 @@ Foundation, Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301, USA.
#define KRNL3 K3
#define KRNL4 K4
#define KRNL5 K5
#define KRNL5 K6
  • @diogo.martins here I am adding a discussion for a previously bug observed with PDB=5kao.

    As you can see in the initial implementation, there is a wrong assignment to KRNL5 (variable holding the SD kernel-name). So, its name was being overwritten, and therefore referring to KRNL6 (FIRE) instead.

    #define KRNL5 K5
    #define KRNL5 K6

    So, although I didn't verify that after this commit the 5kao-bug was gone, (due to the required very specific code setting), I think this pretty much has solved it.

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#define KRNL6 K6
#endif
#define INC " -I " KRNL_FOLDER " -I " KRNL_COMMON
......
......@@ -19,7 +19,7 @@ IN_KERNELa=$KERNEL_DIR/"auxiliary_genetic.cl"
IN_KERNEL3=$KERNEL_DIR/"kernel3.cl"
IN_KERNEL4=$KERNEL_DIR/"kernel4.cl"
IN_KERNELb=$KERNEL_DIR/"calcgradient.cl"
IN_KERNEL5=$KERNEL_DIR/"kernel_gradient.cl"
IN_KERNEL5=$KERNEL_DIR/"kernel_sd.cl"
IN_KERNEL6=$KERNEL_DIR/"kernel_fire.cl"
echo " "
......
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