=================================================================
Dear Prof. Blaha,
Thank you for your answer, actually, there are no unlimited
restriction on the machines. I tested a sample case on multiple (a, b
and c) machines which have the same installation of WIEN2K-12 (OS and
software), they just differ in CPU, RAM and Diskspeed. The SCF was
converged successfully in machine "c" but it was crashed in the first
and third iteration of "a" and "b" machines respectively, because of
insufficient virtual memory. Convergence successfully in one machine
shows the input files are all right and there is no error in the
binaries/rights.
So, I was wondering why it works in one machine and not in the other.
Best regards,
Salman
=================================================================
a) 2 Socket, Dual Core AMD Opteron(tm) Processor 270, 8GB RAM
b) 2 Socket, (8Core) AMD Opteron(tm) Processor 6320, 64GB RAM
c) 2 Socket, (8Core(*2=HT)) Intel(R) Xeon(R) CPU E5-2680 0 @ 2.70GHz,
256GB RAM
$ ulimit -a
core file size (blocks, -c) 0
data seg size (kbytes, -d) unlimited
scheduling priority (-e) 0
file size (blocks, -f) unlimited
pending signals (-i) 515879
max locked memory (kbytes, -l) 64
max memory size (kbytes, -m) unlimited
open files (-n) 1024
pipe size (512 bytes, -p) 8
POSIX message queues (bytes, -q) 819200
real-time priority (-r) 0
stack size (kbytes, -s) unlimited
cpu time (seconds, -t) unlimited
max user processes (-u) 515879
virtual memory (kbytes, -v) unlimited
file locks (-x) unlimited
=================================================================
on machines (a) and (b) failed
(a) failed in the first iteration
(b) failed in the third iteration
the error message was:
forrtl: severe (41): insufficient virtual memory
Image PC Routine Line Source
lapw2 000000000053B8FA Unknown Unknown Unknown
lapw2 000000000053A475 Unknown Unknown Unknown
lapw2 00000000004E0646 Unknown Unknown Unknown
lapw2 000000000049D2F6 Unknown Unknown Unknown
lapw2 00000000004C69F6 Unknown Unknown Unknown
lapw2 000000000044A6EC fourir_ 112
fourir_tmp_.F
lapw2 0000000000475AD5 MAIN__ 595
lapw2_tmp_.F
lapw2 0000000000403FAC Unknown Unknown Unknown
libc.so.6 00002AB7F8770EAD Unknown Unknown Unknown
lapw2 0000000000403EA9 Unknown Unknown Unknown
stop error
========================================================================
Message: 16
Date: Tue, 08 Oct 2013 20:12:03 +0200
From: Peter Blaha <pbl...@theochem.tuwien.ac.at>
To: A Mailing list for WIEN2k users <wien@zeus.theochem.tuwien.ac.at>
Subject: Re: [Wien] Insufficient virtual memory - LAPW2
Message-ID: <52544af3.6020...@theochem.tuwien.ac.at>
Content-Type: text/plain; charset=ISO-8859-1; format=flowed
Eventually your sysadmin (or a special Linux version) has restricted
some resources for the users.
Use limit or ulimit commands to find out/set these values or ask
your sys-admin.
Am 08.10.2013 18:54, schrieb Salman Zarrini:
==========================================================================
Dear Wien2k user,
Wien2k-12 is running in our machines which have enough memory as it is
clear below, however, all the jobs (even a very small one)are crashed in
LAPW2 either in k-point parallel or nonparallel mode thanks to
insufficient virtual memory. So, any helpful comments would be
appreciated in advance.
Regards,
Salman
==============================================================================
forrtl: severe (41): insufficient virtual memory
Image PC Routine Line Source
lapw2 000000000053B8FA Unknown Unknown Unknown
lapw2 000000000053A475 Unknown Unknown Unknown
lapw2 00000000004E0646 Unknown Unknown Unknown
lapw2 000000000049D2F6 Unknown Unknown Unknown
lapw2 00000000004C69F6 Unknown
_______________________________________________
Wien mailing list
Wien@zeus.theochem.tuwien.ac.at
http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien
SEARCH the MAILING-LIST at:
http://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/index.html
--
Peter Blaha
Inst.Materials Chemistry
TU Vienna
Getreidemarkt 9
A-1060 Vienna
Austria
+43-1-5880115671
------------------------------
Message: 17
Date: Tue, 08 Oct 2013 20:12:42 +0200
From: Peter Blaha <pbl...@theochem.tuwien.ac.at>
To: A Mailing list for WIEN2k users <wien@zeus.theochem.tuwien.ac.at>
Subject: Re: [Wien] Insufficient virtual memory - LAPW2
Message-ID: <52544b1a.1090...@theochem.tuwien.ac.at>
Content-Type: text/plain; charset=ISO-8859-1; format=flowed
Eventually your sysadmin (or a special Linux version) has restricted
some resources for the users.
Use limit or ulimit commands to find out/set these values or ask
your sys-admin.
Am 08.10.2013 18:54, schrieb Salman Zarrini:
==========================================================================
Dear Wien2k user,
Wien2k-12 is running in our machines which have enough memory as it is
clear below, however, all the jobs (even a very small one)are crashed in
LAPW2 either in k-point parallel or nonparallel mode thanks to
insufficient virtual memory. So, any helpful comments would be
appreciated in advance.
Regards,
Salman
==============================================================================
forrtl: severe (41): insufficient virtual memory
Image PC Routine Line Source
lapw2 000000000053B8FA Unknown Unknown Unknown
lapw2 000000000053A475 Unknown Unknown Unknown
lapw2 00000000004E0646 Unknown Unknown Unknown
lapw2 000000000049D2F6 Unknown Unknown Unknown
lapw2 00000000004C69F6 Unknown Unknown Unknown
lapw2 000000000044A6EC fourir_ 112
fourir_tmp_.F
lapw2 0000000000475AD5 MAIN__ 595
lapw2_tmp_.F
lapw2 0000000000403FAC Unknown Unknown Unknown
libc.so.6 00002B45BB33EEAD Unknown Unknown Unknown
lapw2 0000000000403EA9 Unknown Unknown Unknown
==============================================================================
cpuinfo: 2 cpu sockets with 8core - AMD Opteron(tm) Processor 6320
==============================================================================
cat /proc/meminfo
MemTotal: 66094780 kB
MemFree: 60913536 kB
Buffers: 136360 kB
Cached: 3471304 kB
SwapCached: 0 kB
Active: 3727996 kB
Inactive: 1212544 kB
Active(anon): 1332968 kB
Inactive(anon): 287908 kB
Active(file): 2395028 kB
Inactive(file): 924636 kB
Unevictable: 192 kB
Mlocked: 192 kB
SwapTotal: 99143676 kB
SwapFree: 99143676 kB
Dirty: 63208 kB
Writeback: 0 kB
AnonPages: 1335024 kB
Mapped: 302476 kB
Shmem: 288016 kB
Slab: 64468 kB
SReclaimable: 38904 kB
SUnreclaim: 25564 kB
KernelStack: 1856 kB
PageTables: 15696 kB
NFS_Unstable: 0 kB
Bounce: 0 kB
WritebackTmp: 0 kB
CommitLimit: 132191064 kB
Committed_AS: 8457532 kB
VmallocTotal: 34359738367 kB
VmallocUsed: 409296 kB
VmallocChunk: 34309016104 kB
HardwareCorrupted: 0 kB
AnonHugePages: 0 kB
HugePages_Total: 0
HugePages_Free: 0
HugePages_Rsvd: 0
HugePages_Surp: 0
Hugepagesize: 2048 kB
DirectMap4k: 84544 kB
DirectMap2M: 5140480 kB
DirectMap1G: 61865984 kB
==========================================================================
_______________________________________________
Wien mailing list
Wien@zeus.theochem.tuwien.ac.at
http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien
SEARCH the MAILING-LIST at:
http://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/index.html
