Compiling NWChem with Intel 2016

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Here is process 0:

                           NWChem Geometry Optimization
----------------------------


^C
Program received signal SIGINT, Interrupt.
MPID_nem_mpich_blocking_recv (cell=<optimised out>, in_fbox=<optimised out>,
completions=<optimised out>)
at ../../src/mpid/ch3/channels/nemesis/include/mpid_nem_inline.h:1148
1148 ../../src/mpid/ch3/channels/nemesis/include/mpid_nem_inline.h: No such file or directory.
(gdb) bt
#0 MPID_nem_mpich_blocking_recv (cell=<optimised out>,
in_fbox=<optimised out>, completions=<optimised out>)
at ../../src/mpid/ch3/channels/nemesis/include/mpid_nem_inline.h:1148
#1 PMPIDI_CH3I_Progress (progress_state=0x7fffffffaa88,
is_blocking=-227683904)
at ../../src/mpid/ch3/channels/nemesis/src/ch3_progress.c:455
#2 0x00007ffff362be39 in MPIC_Wait (request_ptr=0x7fffffffaa88)
at ../../src/mpi/coll/helper_fns.c:281
#3 0x00007ffff362c175 in MPIC_Send (buf=0x7fffffffaa88, count=-227683904,
datatype=1, dest=0, tag=201578176, comm=201578352, errflag=0x7fffffffad60)
at ../../src/mpi/coll/helper_fns.c:357
#4 0x00007ffff3506fd2 in MPIR_Bcast_binomial (buffer=0x7fffffffaa88,
count=-227683904, datatype=1, root=0, comm_ptr=0xc03d6c0,
errflag=0xc03d770) at ../../src/mpi/coll/bcast.c:294
#5 0x00007ffff350b279 in MPIR_Bcast_intra (buffer=0x7fffffffaa88,
count=-227683904, datatype=1, root=0, comm_ptr=0xc03d6c0,
errflag=0xc03d770) at ../../src/mpi/coll/bcast.c:1613
#6 0x00007ffff35092cf in I_MPIR_Bcast_intra (buffer=0x7fffffffaa88,
count=-227683904, datatype=1, root=0, comm_ptr=0xc03d6c0,
errflag=0xc03d770) at ../../src/mpi/coll/bcast.c:2031
#7 0x00007ffff350ca2b in MPIR_Bcast (buffer=<optimised out>,
count=<optimised out>, datatype=<optimised out>, root=<optimised out>,
comm_ptr=<optimised out>, errflag=<optimised out>)
at ../../src/mpi/coll/bcast.c:1854
#8 MPIR_Bcast_impl (buffer=0x7fffffffaa88, count=-227683904, datatype=1,
root=0, comm_ptr=0xc03d6c0, errflag=0xc03d770)
at ../../src/mpi/coll/bcast.c:1829
#9 0x00007ffff350c43e in PMPI_Bcast (buffer=0x7fffffffaa88, count=-227683904,
datatype=1, root=0, comm=201578176) at ../../src/mpi/coll/bcast.c:2438
#10 0x0000000002ea6131 in wnga_msg_brdcst ()
#11 0x0000000002e9ae0c in GA_Brdcst ()
#12 0x0000000000b75f78 in rtdb_broadcast ()
#13 0x0000000000b766a6 in rtdb_get ()
#14 0x0000000000b75802 in rtdb_get_ ()
#15 0x0000000000adb1ec in geom_rtdb_load (rtdb=140733193388464, geom=0,
name=<error reading variable: Cannot access memory at address 0x1>,
.tmp.NAME.len_V$ba1=0) at geom.F:599
#16 0x0000000000539ac0 in driver_initialize (rtdb=140733193388464, geom=0)
at opt_drv.F:1163
#17 0x0000000000527625 in driver (rtdb=140733193388464) at opt_drv.F:45
#18 0x000000000042189b in task_optimize (rtdb=140733193388464)
at task_optimize.F:146
#19 0x00000000004114a8 in task (rtdb=140733193388464) at task.F:384
#20 0x00000000004085e5 in nwchem () at nwchem.F:285
#21 0x00000000004080de in main ()
#22 0x00007ffff2916ec5 in __libc_start_main (main=0x4080b0 <main>, argc=2,
argv=0x7fffffffc498, init=<optimised out>, fini=<optimised out>,
rtld_fini=<optimised out>, stack_end=0x7fffffffc488) at libc-start.c:287
#23 0x0000000000407fdd in _start ()

And process 1:

^C
Program received signal SIGINT, Interrupt.
syscall () at ../sysdeps/unix/sysv/linux/x86_64/syscall.S:38
38 ../sysdeps/unix/sysv/linux/x86_64/syscall.S: No such file or directory.
(gdb) bt
#0 syscall () at ../sysdeps/unix/sysv/linux/x86_64/syscall.S:38
#1 0x00007ffff36d34f2 in process_vm_readv (pid=<optimised out>,
lvec=<optimised out>, liovcnt=<optimised out>, rvec=<optimised out>,
riovcnt=<optimised out>, flags=<optimised out>)
at ../../src/mpid/ch3/channels/nemesis/src/mpid_nem_lmt_dcp.c:27
#2 dcp_read (hndl=-22448, dst=<optimised out>, src=<optimised out>,
len=<optimised out>)
at ../../src/mpid/ch3/channels/nemesis/src/mpid_nem_lmt_dcp.c:119
#3 dcp_recv (vc=<optimised out>, req=<optimised out>,
dcp_cookie=<optimised out>, recv_done=<optimised out>)
at ../../src/mpid/ch3/channels/nemesis/src/mpid_nem_lmt_dcp.c:148
#4 MPID_nem_lmt_dcp_start_recv (vc=0x5bf9, rreq=0x7fffffffa860, s_cookie=...)
at ../../src/mpid/ch3/channels/nemesis/src/mpid_nem_lmt_dcp.c:287
#5 0x00007ffff36d23ad in do_cts (vc=<optimised out>, rreq=<optimised out>,
complete=<optimised out>)
at ../../src/mpid/ch3/channels/nemesis/src/mpid_nem_lmt.c:612
#6 pkt_RTS_handler (vc=0x5bf9, pkt=0x7fffffffa860, buflen=0x1,
rreqp=0xffffffffffffffff)
at ../../src/mpid/ch3/channels/nemesis/src/mpid_nem_lmt.c:282
#7 0x00007ffff3520dbe in PMPIDI_CH3I_Progress (progress_state=0x5bf9,
is_blocking=-22432)
at ../../src/mpid/ch3/channels/nemesis/src/ch3_progress.c:488
#8 0x00007ffff362be39 in MPIC_Wait (request_ptr=0x5bf9)
at ../../src/mpi/coll/helper_fns.c:281
#9 0x00007ffff362c47a in MPIC_Recv (buf=0x5bf9, count=-22432, datatype=1,
source=-1, tag=1, comm=0, status=0x7fffffffab00, errflag=0x7fffffffad60)
at ../../src/mpi/coll/helper_fns.c:407
#10 0x00007ffff350722b in MPIR_Bcast_binomial (buffer=0x5bf9, count=-22432,
datatype=1, root=-1, comm_ptr=0x1, errflag=0x0)
at ../../src/mpi/coll/bcast.c:244
#11 0x00007ffff350b279 in MPIR_Bcast_intra (buffer=0x5bf9, count=-22432,
datatype=1, root=-1, comm_ptr=0x1, errflag=0x0)
at ../../src/mpi/coll/bcast.c:1613
#12 0x00007ffff35092cf in I_MPIR_Bcast_intra (buffer=0x5bf9, count=-22432,
datatype=1, root=-1, comm_ptr=0x1, errflag=0x0)
at ../../src/mpi/coll/bcast.c:2031
#13 0x00007ffff350ca2b in MPIR_Bcast (buffer=<optimised out>,
count=<optimised out>, datatype=<optimised out>, root=<optimised out>,
comm_ptr=<optimised out>, errflag=<optimised out>)
at ../../src/mpi/coll/bcast.c:1854
#14 MPIR_Bcast_impl (buffer=0x5bf9, count=-22432, datatype=1, root=-1,
comm_ptr=0x1, errflag=0x0) at ../../src/mpi/coll/bcast.c:1829
#15 0x00007ffff350c43e in PMPI_Bcast (buffer=0x5bf9, count=-22432, datatype=1,
root=-1, comm=1) at ../../src/mpi/coll/bcast.c:2438
#16 0x0000000002ea6131 in wnga_msg_brdcst ()
#17 0x0000000002e9ae0c in GA_Brdcst ()
#18 0x0000000000b75f78 in rtdb_broadcast ()
#19 0x0000000000b766a6 in rtdb_get ()
#20 0x0000000000b75802 in rtdb_get_ ()
#21 0x0000000000adb1ec in geom_rtdb_load (
rtdb=<error reading variable: Cannot access memory at address 0x5bf9>,
geom=29052167,
name=<error reading variable: Cannot access memory at address 0x1>,
.tmp.NAME.len_V$ba1=-1) at geom.F:599
#22 0x0000000000539ac0 in driver_initialize (
rtdb=<error reading variable: Cannot access memory at address 0x5bf9>,
geom=29052167) at opt_drv.F:1163
#23 0x0000000000527625 in driver (
rtdb=<error reading variable: Cannot access memory at address 0x5bf9>)
at opt_drv.F:45
#24 0x000000000042189b in task_optimize (
rtdb=<error reading variable: Cannot access memory at address 0x5bf9>)
at task_optimize.F:146
#25 0x00000000004114a8 in task (
rtdb=<error reading variable: Cannot access memory at address 0x5bf9>)
at task.F:384
#26 0x00000000004085e5 in nwchem () at nwchem.F:285
#27 0x00000000004080de in main ()
#28 0x00007ffff2916ec5 in __libc_start_main (main=0x4080b0 <main>, argc=2,
argv=0x7fffffffc498, init=<optimised out>, fini=<optimised out>,
rtld_fini=<optimised out>, stack_end=0x7fffffffc488) at libc-start.c:287
#29 0x0000000000407fdd in _start ()


Tom


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