Solved: Nwchem 6.3 running 2-5 times slower than 6.1.1


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Gets Around
1. Looking through src/tools/build/config.log for SOCKETS for an UNPATCHED build:
configure:6762: result: LINUX64
configure:10516: WARNING: No ARMCI_NETWORK specified, defaulting to SOCKETS
configure:12957: checking whether to enable assertions

and
configure:42954: **************************************************************
configure:42956:  Global Arrays (GA) configured as follows:
configure:42958: **************************************************************
configure:42960: 
configure:42962:                 TARGET=LINUX64
configure:42964:              MSG_COMMS=MPI
configure:42966:             GA_MP_LIBS= -lmpi -lopen-rte -lopen-pal -ldl -lmpi_f77 -lpthread
configure:42968:          GA_MP_LDFLAGS= -L/usr/lib/openmpi/lib
configure:42970:         GA_MP_CPPFLAGS= -I/usr/lib/openmpi/include
configure:42972:          ARMCI_NETWORK=SOCKETS
configure:42974:  ARMCI_NETWORK_LDFLAGS

and
ARMCI_NETWORK_SOCKETS_FALSE='#'
ARMCI_NETWORK_SOCKETS_TRUE='

(there are two apostrophes at the end of the second line)
and
#define DATA_SERVER 1
#define SOCKETS 1
#define ENABLE_ARMCI_MEM_OPTION 1


2. The patched version of 6.3
Re-running my short calculation ten times with the PATCHED version I get 56 s cpu and 58 s wall for every single run i.e. the unpatched version must have recognised SOCKETS. There is at least no functional difference.