I have been a frequent user of the haddock webserver. However, recently I experienced the following error in a protein protein docking experiment.
HEAP: maximum use = 3912450952 current use = 96000 bytes
HEAP: maximum overhead = 3648 current overhead = 752 bytes
PRIEND: 1 levels not terminated
LEVEL= 1 KEY=CNSsolve> ACTION=GO
Maximum dynamic memory allocation: 3912450952 bytes
Maximum dynamic memory overhead: 3648 bytes
Program started at: 10:39:23 on 26-Feb-2019
Program stopped at: 12:53:14 on 26-Feb-2019
CPU time used: 8025.1340 seconds
I have tried on Guru as well as easy interface. Neither worked. The size of the 2 protein are ~800 residues in total. A few questions:
- Are there ways to increase the dynamic memory allocation?
- Are there ways to cut memory cost in the simulation?
- Will using less active residues help?
P.s. The run document is in http://milou.science.uu.nl/serviceresults/HADDOCK2.2/4648668538/Easy_A20_CYLD/