Dear All, I was experimenting a little bit with different settings for kernel.shmmax
and ARMCI_DEFAULT_SHMMAX values. I used the same input deck reported in the 1st post
but the simulation was developped just using only 8 cores (as suggested by Bert) for all the tests.
Test 1): kernel.shmmax = 8589934592 (8192 MB), ARMCI_DEFAULT_SHMMAX=8192
The error obtained (after the dft-scf procedure) is:
- ARMCI INFO ************************
The application attempted to allocate a shared memory segment of 4294967296 bytes in size. This might be in addition to segments that were allocated succesfully previously. The current system configuration does not allow enough shared memory to be allocated to the application.
This is most often caused by:
1) system parameter SHMMAX (largest shared memory segment) being too small or
2) insufficient swap space.
Please ask your system administrator to verify if SHMMAX matches the amount of memory needed by your application and the system has sufficient amount of swap space. Most UNIX systems can be easily reconfigured to allow larger shared memory segments,
see http://www.emsl.pnl.gov/docs/global/support.html
In some cases, the problem might be caused by insufficient swap space.
0:allocate: failed to create shared region : -1
(rank:0 hostname:gundam pid:12926):ARMCI DASSERT fail. ../../ga-5-1/armci/src/memory/shmem.c:armci_allocate():1117 cond:0
Test 2): kernel.shmmax = 25769803776 (24576 MB), ARMCI_DEFAULT_SHMMAX=8192
The error obtained (after the dft-scf procedure) is:
- ARMCI INFO ************************
The application attempted to allocate a shared memory segment of 4294967296 bytes in size. This might be in addition to segments that were allocated succesfully previously. The current system configuration does not allow enough shared memory to be allocated to the application.
This is most often caused by:
1) system parameter SHMMAX (largest shared memory segment) being too small or
2) insufficient swap space.
Please ask your system administrator to verify if SHMMAX matches the amount of memory needed by your application and the system has sufficient amount of swap space. Most UNIX systems can be easily reconfigured to allow larger shared memory segments,
see http://www.emsl.pnl.gov/docs/global/support.html
In some cases, the problem might be caused by insufficient swap space.
0:allocate: failed to create shared region : -1
(rank:0 hostname:gundam pid:12981):ARMCI DASSERT fail. ../../ga-5-1/armci/src/memory/shmem.c:armci_allocate():1117 cond:0
Test 3): kernel.shmmax = 25769803776 (24576 MB), ARMCI_DEFAULT_SHMMAX=24576
The error obtained (after the 1st Davidson Iteration in the TDDFT procedure) is:
Iter NTrls NConv DeltaV DeltaE Time
---- ------ ------ --------- --------- ---------
1 30 0 0.30E+00 0.10+100 3627.0
ga_create_atom_blocked: gdens1
------------------------------------------------------------------------
ga_create_atom_blocked: ga_create_irreg 1158
current input line :
154: task tddft energy
For more information see the NWChem manual at
http://nwchemgit.github.io/index.php/NWChem_Documentation
For further details see manual section:
0:0:ga_create_atom_blocked: ga_create_irreg:: 1158
(rank:0 hostname:gundam pid:13005):ARMCI DASSERT fail. ../../ga-5-1/armci/src/common/armci.c:ARMCI_Error():208 cond:0
ga_create_atom_blocked: ga_create_irreg 1158
current input line :
0:
For more information see the NWChem manual at
http://nwchemgit.github.io/index.php/NWChem_Documentation
For further details see manual section:
2:2:ga_create_atom_blocked: ga_create_irreg:: 1158
ga_create_atom_blocked: ga_create_irreg 1158
current input line :
0:
For more information see the NWChem manual at
ga_create_atom_blocked: ga_create_irreg 1158
current input line :
0:
For more information see the NWChem manual at
http://nwchemgit.github.io/index.php/NWChem_Documentation
For further details see manual section
ga_create_atom_blocked: ga_create_irreg 1158
current input line :
0:
For more information see the NWChem manual at
ga_create_atom_blocked: ga_create_irreg 1158
(rank:2 hostname:gundam pid:13007):ARMCI DASSERT fail. ../../ga-5-1/armci/src/common/armci.c:ARMCI_Error():208 cond:0
http://nwchemgit.github.io/index.php/NWChem_Documentation
For further details see manual section:
3:3:ga_create_atom_blocked: ga_create_irreg:: 1158
(rank:3 hostname:gundam pid:13008):ARMCI DASSERT fail. ../../ga-5-1/armci/src/common/armci.c:ARMCI_Error():208 cond:0
4:4:ga_create_atom_blocked: ga_create_irreg:: 1158
(rank:4 hostname:gundam pid:13009):ARMCI DASSERT fail. ../../ga-5-1/armci/src/common/armci.c:ARMCI_Error():208 cond:0
http://nwchemgit.github.io/index.php/NWChem_Documentation
For further details see manual section:
6:6:ga_create_atom_blocked: ga_create_irreg:: 1158
current input line :
0:
For more information see the NWChem manual at
http://nwchemgit.github.io/index.php/NWChem_Documentation
For further details see manual section:
1:1:ga_create_atom_blocked: ga_create_irreg:: 1158
ga_create_atom_blocked: ga_create_irreg 1158
current input line :
0:
For more information see the NWChem manual at
http://nwchemgit.github.io/index.php/NWChem_Documentation
For further details see manual section:
(rank:6 hostname:gundam pid:13011):ARMCI DASSERT fail. ../../ga-5-1/armci/src/common/armci.c:ARMCI_Error():208 cond:0
(rank:1 hostname:gundam pid:13006):ARMCI DASSERT fail. ../../ga-5-1/armci/src/common/armci.c:ARMCI_Error():208 cond:0
5:5:ga_create_atom_blocked: ga_create_irreg:: 1158
ga_create_atom_blocked: ga_create_irreg 1158
current input line :
(rank:5 hostname:gundam pid:13010):ARMCI DASSERT fail. ../../ga-5-1/armci/src/common/armci.c:ARMCI_Error():208 cond:0
0:
For more information see the NWChem manual at
http://nwchemgit.github.io/index.php/NWChem_Documentation
For further details see manual section:
7:7:ga_create_atom_blocked: ga_create_irreg:: 1158
(rank:7 hostname:gundam pid:13012):ARMCI DASSERT fail. ../../ga-5-1/armci/src/common/armci.c:ARMCI_Error():208 cond:0
All the best,
Davide
|