Missing values for "intercor" in bestranking.lst output when runing GOLD in parallel with PVM
There are some bugs when running GOLD 5.4 in parallel with PVM (parallel virtual machine). In the "intcor", there is not value reported in the final docking result file "bestranking.lst". Run-1: In parallel with PVM using 8 cpus (parallel_gold_li*) ============================== ====================== # Fitness S(hb_ext) S(vdw_ext) S(hb_int) S(int) intcor time File name Ligand name 46.25 9.00 27.86 0.00 -1.06 ---- 15.870 './ligands_ m1_2.mol2' 'ligand_001' ============================== ====================== If running GOLD by commond line using "gold_auto gold .conf", this time gold only used 1 core (cpu), the output file seemed okay as following: Run-2: Using 1 CPU (gold_linux_64) ============================== ====================== # Fitness S(hb_ext) S(vdw_ext) S(hb_int) S(int) intcor time