I am doing GW by following the example in the tutorial. But I got the error below which I think related to memory so I increased it from 16GB to 96GB but still have the same error. Any advice?
Code: Select all
#
# __ __ ________ ___ __ __ _______ ______
# /_/\/_/\ /_______/\ /__//_//_/\ /_______/\ /_____/\
# \ \ \ \ \\::: _ \ \\::\| \| \ \\::: _ \ \\:::_ \ \
# \:\_\ \ \\::(_) \ \\:. \ \\::(_) \/_\:\ \ \ \
# \::::_\/ \:: __ \ \\:.\-/\ \ \\:: _ \ \\:\ \ \ \
# \::\ \ \:.\ \ \ \\. \ \ \ \\::(_) \ \\:\_\ \ \
# \__\/ \__\/\__\/ \__\/ \__\/ \_______\/ \_____\/
#
#
# Version 5.0.4 Revision 19595 Hash 896bffc02
# Branch is
# MPI+HDF5_IO Build
# http://www.yambo-code.org
#
HF_and_locXC # [R] Hartree-Fock
gw0 # [R] GW approximation
ppa # [R][Xp] Plasmon Pole Approximation for the Screened Interaction
em1d # [R][X] Dynamically Screened Interaction
EXXRLvcs= 40 Ry # [XX] Exchange RL components
VXCRLvcs= 2019 RL # [XC] XCpotential RL components
Chimod= "HARTREE" # [X] IP/Hartree/ALDA/LRC/PF/BSfxc
% BndsRnXp
1 | 10 | # [Xp] Polarization function bands
%
NGsBlkXp= 1 RL # [Xp] Response block size
% LongDrXp
1.000000 | 1.000000 | 1.000000 | # [Xp] [cc] Electric Field
%
PPAPntXp= 27.21138 eV # [Xp] PPA imaginary energy
XTermKind= "none" # [X] X terminator ("none","BG" Bruneval-Gonze)
% GbndRnge
1 | 44 | # [GW] G[W] bands range
%
GTermKind= "none" # [GW] GW terminator ("none","BG" Bruneval-Gonze,"BRS" Berger-Reining-Sottile)
DysSolver= "n" # [GW] Dyson Equation solver ("n","s","g")
GWoIter=0 # [GW] GWo self-consistent (evGWo) iterations on eigenvalues
GWIter=0 # [GW] GW self-consistent (evGW) iterations on eigenvalues
%QPkrange # [GW] QP generalized Kpoint/Band indices
1|13|30|31|
Code: Select all
*** Error in `./yambo': free(): invalid next size (fast): 0x0000000006dbe190 ***
*** Error in `./yambo': free(): invalid next size (fast): 0x00000000063c2b60 ***
*** Error in `./yambo': free(): invalid next size (fast): 0x0000000006daaf80 ***
*** Error in `./yambo': free(): invalid next size (fast): 0x0000000005e83bc0 ***
*** Error in `./yambo': free(): invalid next size (fast): 0x0000000006f5b0f0 ***
*** Error in `./yambo': free(): invalid next size (fast): 0x0000000005581be0 ***
*** Error in `./yambo': free(): invalid next size (fast): 0x0000000006ef5fa0 ***
*** Error in `./yambo': free(): invalid next size (fast): 0x0000000006a6f8b0 ***
*** Error in `./yambo': free(): invalid next size (fast): 0x00000000057fdeb0 ***
*** Error in `./yambo': free(): invalid next size (fast): 0x0000000006272ab0 ***
*** Error in `./yambo': free(): invalid next size (fast): 0x0000000005e9ad60 ***
*** Error in `./yambo': free(): invalid next size (fast): 0x00000000070af6a0 ***
*** Error in `./yambo': free(): invalid next size (fast): 0x0000000006e4abd0 ***
*** Error in `./yambo': free(): invalid next size (fast): 0x00000000063eaac0 ***
*** Error in `./yambo': free(): invalid next size (fast): 0x000000000722ba40 ***
*** Error in `./yambo': free(): invalid next size (fast): 0x00000000062fa2b0 ***
======= Backtrace: =========
/lib64/libc.so.6(+0x81299)[0x1539cb369299]
./yambo[0x5d7958]
./yambo[0x5e1767]
./yambo[0x5d73d7]
./yambo[0x4a4b69]
./yambo[0x407c44]
./yambo[0x6717f8]
./yambo[0x405d46]
/lib64/libc.so.6(__libc_start_main+0xf5)[0x1539cb30a555]
======= Backtrace: =========
/lib64/libc.so.6(+0x81299)[0x146c48f38299]
./yambo[0x5d7958]
./yambo[0x5e1767]
./yambo[0x5d73d7]
./yambo[0x4a4b69]
./yambo[0x407c44]
./yambo[0x6717f8]
./yambo[0x405d46]
/lib64/libc.so.6(__libc_start_main+0xf5)[0x146c48ed9555]
./yambo[0x405dd7]
======= Memory map: ========
======= Backtrace: =========
/lib64/libc.so.6(+0x81299)[0x1500102be299]
./yambo[0x5d7958]
./yambo[0x5e1767]
./yambo[0x5d73d7]
./yambo[0x4a4b69]
./yambo[0x407c44]
./yambo[0x6717f8]
./yambo[0x405d46]
/lib64/libc.so.6(__libc_start_main+0xf5)[0x15001025f555]
./yambo[0x405dd7]
======= Memory map: ========
======= Backtrace: =========
/lib64/libc.so.6(+0x81299)[0x147ff6435299]
./yambo[0x5d7958]
./yambo[0x5e1767]
./yambo[0x5d73d7]
./yambo[0x4a4b69]
./yambo[0x407c44]
./yambo[0x6717f8]
./yambo[0x405d46]
/lib64/libc.so.6(__libc_start_main+0xf5)[0x147ff63d6555]
./yambo[0x405dd7]
======= Memory map: ========
======= Backtrace: =========
/lib64/libc.so.6(+0x81299)[0x14c2ded69299]
./yambo[0x5d7958]
./yambo[0x5e1767]
./yambo[0x5d73d7]
./yambo[0x4a4b69]
./yambo[0x407c44]
./yambo[0x6717f8]
./yambo[0x405d46]
/lib64/libc.so.6(__libc_start_main+0xf5)[0x14c2ded0a555]
./yambo[0x405dd7]
======= Memory map: ========
======= Backtrace: =========
/lib64/libc.so.6(+0x81299)[0x147a45781299]
./yambo[0x5d7958]
./yambo[0x5e1767]
./yambo[0x5d73d7]
./yambo[0x4a4b69]
./yambo[0x407c44]
./yambo[0x6717f8]
./yambo[0x405d46]
/lib64/libc.so.6(__libc_start_main+0xf5)[0x147a45722555]
./yambo[0x405dd7]
======= Memory map: ========
======= Backtrace: =========
/lib64/libc.so.6(+0x81299)[0x149193711299]
./yambo[0x5d7958]
./yambo[0x5e1767]
./yambo[0x5d73d7]
./yambo[0x4a4b69]
./yambo[0x407c44]
./yambo[0x6717f8]
./yambo[0x405d46]
/lib64/libc.so.6(__libc_start_main+0xf5)[0x1491936b2555]
./yambo[0x405dd7]
======= Memory map: ========
======= Backtrace: =========
/lib64/libc.so.6(+0x81299)[0x15548b594299]
./yambo[0x5d7958]
./yambo[0x5e1767]
./yambo[0x5d73d7]
./yambo[0x4a4b69]
./yambo[0x407c44]
./yambo[0x6717f8]
./yambo[0x405d46]
/lib64/libc.so.6(__libc_start_main+0xf5)[0x15548b535555]
./yambo[0x405dd7]
======= Memory map: ========
======= Backtrace: =========
/lib64/libc.so.6(+0x81299)[0x14921cfbc299]
./yambo[0x5d7958]
./yambo[0x5e1767]
./yambo[0x5d73d7]
./yambo[0x4a4b69]
./yambo[0x407c44]
./yambo[0x6717f8]
./yambo[0x405d46]
/lib64/libc.so.6(__libc_start_main+0xf5)[0x14921cf5d555]
./yambo[0x405dd7]
======= Memory map: ========
======= Backtrace: =========
/lib64/libc.so.6(+0x81299)[0x145f51629299]
./yambo[0x5d7958]
./yambo[0x5e1767]
./yambo[0x5d73d7]
./yambo[0x4a4b69]
./yambo[0x407c44]
./yambo[0x6717f8]
./yambo[0x405d46]
/lib64/libc.so.6(__libc_start_main+0xf5)[0x145f515ca555]
./yambo[0x405dd7]
======= Memory map: ========
======= Backtrace: =========
/lib64/libc.so.6(+0x81299)[0x14711c06c299]
./yambo[0x5d7958]
./yambo[0x5e1767]
./yambo[0x5d73d7]
./yambo[0x4a4b69]
./yambo[0x407c44]
./yambo[0x6717f8]
./yambo[0x405d46]
/lib64/libc.so.6(__libc_start_main+0xf5)[0x14711c00d555]
./yambo[0x405dd7]
======= Memory map: ========
======= Backtrace: =========
/lib64/libc.so.6(+0x81299)[0x14e4aac47299]
./yambo[0x5d7958]
./yambo[0x5e1767]
./yambo[0x5d73d7]
./yambo[0x4a4b69]
./yambo[0x407c44]
./yambo[0x6717f8]
./yambo[0x405d46]
/lib64/libc.so.6(__libc_start_main+0xf5)[0x14e4aabe8555]
./yambo[0x405dd7]
======= Memory map: ========
======= Backtrace: =========
/lib64/libc.so.6(+0x81299)[0x14722bc5a299]
./yambo[0x5d7958]
./yambo[0x5e1767]
./yambo[0x5d73d7]
./yambo[0x4a4b69]
./yambo[0x407c44]
./yambo[0x6717f8]
./yambo[0x405d46]
/lib64/libc.so.6(__libc_start_main+0xf5)[0x14722bbfb555]
./yambo[0x405dd7]
======= Memory map: ========
00400000-00ee9000 r-xp 00000000 08:08 19136522 /var/lib/condor/execute/slot1/dir_12336/yambo
00ee9000-00eea000 r--p 00ae8000 08:08 19136522 /var/lib/condor/execute/slot1/dir_12336/yambo
00eea000-00f35000 rw-p 00ae9000 08:08 19136522 /var/lib/condor/execute/slot1/dir_12336/yambo
00f35000-05209000 rw-p 00000000 00:00 0
06e28000-075ef000 rw-p 00000000 00:00 0 [heap]
147218000000-147218021000 rw-p 00000000 00:00 0
147218021000-14721c000000 ---p 00000000 00:00 0
14721c000000-14721c021000 rw-p 00000000 00:00 0
14721c021000-147220000000 ---p 00000000 00:00 0
147220e80000-147221ff8000 rw-p 00000000 00:00 0
147221ff8000-1472223f9000 rw-s 00000000 00:2c 1104764633 /dev/shm/vader_segment.e2358.a5440001.15
1472223f9000-1472227fa000 rw-s 00000000 00:2c 1104746943 /dev/shm/vader_segment.e2358.a5440001.14
1472227fa000-147222bfb000 rw-s 00000000 00:2c 1104768245 ======= Backtrace: =========
/lib64/libc.so.6(+0x81299)[0x14573fe3b299]
./yambo[0x5d7958]
./yambo[0x5e1767]
./yambo[0x5d73d7]
./yambo[0x4a4b69]
./yambo[0x407c44]
./yambo[0x6717f8]
./yambo[0x405d46]
/lib64/libc.so.6(__libc_start_main+0xf5)[0x14573fddc555]
./yambo[0x405dd7]
======= Memory map: ========
00400000-00ee9000 r-xp 00000000 08:08 19136522 /var/lib/condor/execute/slot1/dir_12336/yambo
00ee9000-00eea000 r--p 00ae8000 08:08 19136522 /var/lib/condor/execute/slot1/dir_12336/yambo
00eea000-00f35000 rw-p 00ae9000 08:08 19136522 /var/lib/condor/execute/slot1/dir_12336/yambo
00f35000-05209000 rw-p 00000000 00:00 0
06c2f000-073f6000 rw-p 00000000 00:00 0 [heap]
14572c000000-14572c021000 rw-p 00000000 00:00 0
14572c021000-145730000000 ---p 00000000 00:00 0
145730000000-145730021000 rw-p 00000000 00:00 0
145730021000-145734000000 ---p 00000000 00:00 0
145734f53000-145735ff8000 rw-p 00000000 00:00 0
145735ff8000-1457363f9000 rw-s 00000000 00:2c 1104764633 /dev/shm/vader_segment.e2358.a5440001.15
1457363f9000-1457367fa000 rw-s 00000000 00:2c 1104746943 /dev/shm/vader_segment.e2358.a5440001.14
1457367fa000-145736bfb000 rw-s 00000000 00:2c 1104768245 /dev/shm/vader_segment.e2358.a5440001.13
145736bfb000-145736ffc000 rw-s 00000000 00:2c 1104766688 /dev/shm/vader_segment.e2358.a5440001.11
145736ffc000-1457373fd000 rw-s 00000000 00:2c 1104732937 /dev/shm/vader_segment.e2358.a5440001.10
1457373fd000-1457377fe000 rw-s 00000000 00:2c 1104750526 /dev/shm/vader_segment.e2358.a5440001.9
1457377fe000-145737bff000 rw-s 00000000 00:2c 1104729649 /dev/shm/vader_segment.e2358.a5440001.8
145737bff000-145738000000 rw-s 00000000 00:2c 1104754519 /dev/shm/vader_segment.e2358.a5440001.7
145738000000-145738021000 rw-p 00000000 00:00 0
145738021000-14573c000000 ---p 00000000 00:00 0
14573c16c000-14573c27b000 rw-p 00000000 00:00 0
14573c37f000-14573c780000 rw-s 00000000 00:2c 1104782552 /dev/shm/vader_segment.e2358.a5440001.6