Closed GoogleCodeExporter closed 9 years ago
GoogleCodeExporter
commented
9 years ago On different machines it works different. On some other computer
./ggeom worked fine, but it crashed when I used attached input files:Original comment by iglovi...@gmail.com on 27 Dec 2013 at 3:42
Attachments:
GoogleCodeExporter
commented
9 years ago More details:
make.inc.mkl-icc
ifort version 14.0.0
Kernel version 3.11.0-15-generic
FC_FLAGS = -m64 -fast -warn all -unroll
./ggeom in
Detected Geometry Free Format.
================================================================
Basic real space geometry info
Crystal atomic basis
0 0.0000000 0.0000000 0.0000000
Basis cell vectors
1.0000000 0.0000000 0.0000000
0.0000000 1.0000000 0.0000000
0.0000000 0.0000000 1000.0000000
Supercell vectors (fractionary unit)
4 0 0
0 4 0
0 0 1
Super-Lattice vectors (cartesian)
4.0000000 0.0000000 0.0000000
0.0000000 4.0000000 0.0000000
0.0000000 0.0000000 1000.0000000
================================================================
Real space lattice
Number of orbitals in primitive cell: 1
Total number of orbitals: 16
index label type X Y Z
0 s0 0 0.00000 0.00000 0.00000
1 s0 0 1.00000 0.00000 0.00000
2 s0 0 2.00000 0.00000 0.00000
3 s0 0 3.00000 0.00000 0.00000
4 s0 0 0.00000 1.00000 0.00000
5 s0 0 1.00000 1.00000 0.00000
6 s0 0 2.00000 1.00000 0.00000
7 s0 0 3.00000 1.00000 0.00000
8 s0 0 0.00000 2.00000 0.00000
9 s0 0 1.00000 2.00000 0.00000
10 s0 0 2.00000 2.00000 0.00000
11 s0 0 3.00000 2.00000 0.00000
12 s0 0 0.00000 3.00000 0.00000
13 s0 0 1.00000 3.00000 0.00000
14 s0 0 2.00000 3.00000 0.00000
15 s0 0 3.00000 3.00000 0.00000
================================================================
*** Error in `./ggeom': free(): invalid size: 0x00007fff29969870 ***
======= Backtrace: =========
[0x1395032]
[0x12f4aac]
[0x4fee31]
[0x4fc30e]
[0x4d9b30]
[0x405451]
[0x401eb6]
[0x137346c]
[0x401d83]
======= Memory map: ========
00400000-01553000 r-xp 00000000 08:08 1181614
/home/vladimir/work/quest-qmc/EXAMPLE/geom/ggeom
01753000-0176e000 rw-p 01153000 08:08 1181614
/home/vladimir/work/quest-qmc/EXAMPLE/geom/ggeom
0176e000-017aa000 rw-p 00000000 00:00 0
02d9f000-02de2000 rw-p 00000000 00:00 0 [heap]
7fabe8a21000-7fabe8a22000 rw-p 00000000 00:00 0
7fff2994b000-7fff2996d000 rw-p 00000000 00:00 0 [stack]
7fff299fe000-7fff29a00000 r-xp 00000000 00:00 0 [vdso]
ffffffffff600000-ffffffffff601000 r-xp 00000000 00:00 0
[vsyscall]
--------------------
./verify
A 4x4 periodic lattice with L = 12, dtau= 0.125
==============================
| CASE 1. Single site (t=0) |
==============================
Parameters : t = 0.00, mu = 0.50, U = 1.00, beta = 1.50,
============================================================================
Theoretical | Computed (avg +- error) | |T-C| : error
----------------------------------------------------------------------------
Density : 1.241030 | 1.241569 +- 0.000386 | 1.40 : 1.00
Energy : -0.310257 | -0.309833 +- 0.000304 | 1.40 : 1.00
Double occupancy : 0.310257 | 0.310952 +- 0.000497 | 1.40 : 1.00
============================================================================
Parameters : t = 0.00, mu = 0.50, U = 2.00, beta = 1.50,
============================================================================
Theoretical | Computed (avg +- error) | |T-C| : error
----------------------------------------------------------------------------
Density : 1.142359 | 1.143104 +- 0.000417 | 1.79 : 1.00
Energy : -0.204686 | -0.203140 +- 0.000866 | 1.79 : 1.00
Double occupancy : 0.366493 | 0.368412 +- 0.001075 | 1.79 : 1.00
============================================================================
Parameters : t = 0.00, mu = 0.50, U = 4.00, beta = 1.50,
============================================================================
Theoretical | Computed (avg +- error) | |T-C| : error
----------------------------------------------------------------------------
Density : 1.038462 | 1.037383 +- 0.000209 | 5.17 : 1.00
Energy : -0.321197 | -0.326212 +- 0.000971 | 5.17 : 1.00
Double occupancy : 0.198034 | 0.192480 +- 0.001075 | 5.17 : 1.00
============================================================================
Parameters : t = 0.00, mu = 0.00, U = 1.00, beta = 1.50,
============================================================================
Theoretical | Computed (avg +- error) | |T-C| : error
----------------------------------------------------------------------------
Density : 1.000000 | 1.000000 +- 0.000000 | 0.00 : 0.00
Energy : 0.160411 | 0.160026 +- 0.000174 | 2.21 : 1.00
Double occupancy : 0.160411 | 0.160026 +- 0.000174 | 2.21 : 1.00
============================================================================
Parameters : t = 0.00, mu = 0.00, U = 2.00, beta = 1.50,
============================================================================
Theoretical | Computed (avg +- error) | |T-C| : error
----------------------------------------------------------------------------
Density : 1.000000 | 1.000000 +- 0.000000 | 0.00 : 0.00
Energy : 0.182426 | 0.182317 +- 0.000737 | 0.15 : 1.00
Double occupancy : 0.182426 | 0.182317 +- 0.000737 | 0.15 : 1.00
============================================================================
Parameters : t = 0.00, mu = 0.00, U = 4.00, beta = 1.50,
============================================================================
Theoretical | Computed (avg +- error) | |T-C| : error
----------------------------------------------------------------------------
Density : 1.000000 | 1.000000 +- 0.000000 | 0.00 : 0.00
Energy : 0.094852 | 0.094742 +- 0.000545 | 0.20 : 1.00
Double occupancy : 0.094852 | 0.094742 +- 0.000545 | 0.20 : 1.00
============================================================================
Parameters : t = 0.00, mu = -0.50, U = 1.00, beta = 1.50,
============================================================================
Theoretical | Computed (avg +- error) | |T-C| : error
----------------------------------------------------------------------------
Density : 0.758970 | 0.758152 +- 0.000564 | 1.45 : 1.00
Energy : 0.448713 | 0.448539 +- 0.000120 | 1.45 : 1.00
Double occupancy : 0.069228 | 0.069463 +- 0.000162 | 1.45 : 1.00
============================================================================
Parameters : t = 0.00, mu = -0.50, U = 2.00, beta = 1.50,
============================================================================
Theoretical | Computed (avg +- error) | |T-C| : error
----------------------------------------------------------------------------
Density : 0.857641 | 0.857602 +- 0.000518 | 0.08 : 1.00
Energy : 0.510596 | 0.510599 +- 0.000039 | 0.08 : 1.00
Double occupancy : 0.081776 | 0.081798 +- 0.000298 | 0.08 : 1.00
============================================================================
Parameters : t = 0.00, mu = -0.50, U = 4.00, beta = 1.50,
============================================================================
Theoretical | Computed (avg +- error) | |T-C| : error
----------------------------------------------------------------------------
Density : 0.961538 | 0.961567 +- 0.000489 | 0.06 : 1.00
Energy : 0.524956 | 0.524938 +- 0.000317 | 0.06 : 1.00
Double occupancy : 0.044187 | 0.044155 +- 0.000561 | 0.06 : 1.00
============================================================================
==========================================
| CASE 2. No Coulomb interaction (U=0) |
==========================================
Parameters : t = 0.30, mu = 0.50, U = 0.00, beta = 1.50,
============================================================================
Theoretical | Computed (avg +- error) | |T-C| : error
----------------------------------------------------------------------------
Density : 1.308464 | NaN +- NaN | NaN : 1.00
forrtl: severe (174): SIGSEGV, segmentation fault occurred
Image PC Routine Line Source
verify 00000000010AF589 Unknown Unknown Unknown
verify 00000000010ADF00 Unknown Unknown Unknown
verify 0000000001064A02 Unknown Unknown Unknown
verify 0000000001022133 Unknown Unknown Unknown
verify 000000000102612B Unknown Unknown Unknown
verify 000000000101ED80 Unknown Unknown Unknown
verify 00000000004039A5 Unknown Unknown Unknown
verify 0000000000401EB6 Unknown Unknown Unknown
verify 00000000010C465C Unknown Unknown Unknown
verify 0000000000401D83 Unknown Unknown Unknown
---------------------
./test small.in
works fine
=======================
FC_FLAGS = -m64 -warn all -traceback -check pointers -check bounds
-fstack-security-check
./ggeom in works fine
-----------
./test works fine
-----------
./verify works fine
========================
FC_FLAGS = -m64 -warn all -unroll -O3
./ggeom in
Detected Geometry Free Format.
================================================================
Basic real space geometry info
Crystal atomic basis
0 0.0000000 0.0000000 0.0000000
Basis cell vectors
1.0000000 0.0000000 0.0000000
0.0000000 1.0000000 0.0000000
0.0000000 0.0000000 1000.0000000
Supercell vectors (fractionary unit)
4 0 0
0 4 0
0 0 1
Super-Lattice vectors (cartesian)
4.0000000 0.0000000 0.0000000
0.0000000 4.0000000 0.0000000
0.0000000 0.0000000 1000.0000000
================================================================
Real space lattice
Number of orbitals in primitive cell: 1
Total number of orbitals: 16
index label type X Y Z
0 s0 0 0.00000 0.00000 0.00000
1 s0 0 1.00000 0.00000 0.00000
2 s0 0 2.00000 0.00000 0.00000
3 s0 0 3.00000 0.00000 0.00000
4 s0 0 0.00000 1.00000 0.00000
5 s0 0 1.00000 1.00000 0.00000
6 s0 0 2.00000 1.00000 0.00000
7 s0 0 3.00000 1.00000 0.00000
8 s0 0 0.00000 2.00000 0.00000
9 s0 0 1.00000 2.00000 0.00000
10 s0 0 2.00000 2.00000 0.00000
11 s0 0 3.00000 2.00000 0.00000
12 s0 0 0.00000 3.00000 0.00000
13 s0 0 1.00000 3.00000 0.00000
14 s0 0 2.00000 3.00000 0.00000
15 s0 0 3.00000 3.00000 0.00000
================================================================
forrtl: severe (173): A pointer passed to DEALLOCATE points to an object that
cannot be deallocated
Image PC Routine Line Source
ggeom 0000000000580451 Unknown Unknown Unknown
ggeom 000000000057F8E2 Unknown Unknown Unknown
ggeom 00000000004150D6 Unknown Unknown Unknown
ggeom 000000000040655F Unknown Unknown Unknown
ggeom 0000000000403B26 Unknown Unknown Unknown
libc.so.6 00007F6ED25D8DE5 Unknown Unknown Unknown
ggeom 0000000000403A19 Unknown Unknown Unknown
----
./test small.in
works fine
----
./verify
works fine.
======================
It can be some issue of the intel compiler that appeared in the last versions,
or something from the list:
https://code.google.com/p/quest-qmc/issues/detail?id=19
I guess warnings like: 4, 6, 40, 41, 47, 49, 50, 54, 62, 69, 70, 72, 77, 78,
79,
80, 88, 90, 91
can lead to this type of the problem.Original comment by iglovi...@gmail.com on 31 Dec 2013 at 3:40
GoogleCodeExporter
commented
9 years ago Revision d0226051e1a1 should take care of the DEALLOCATE bugs. I was not able
to address
the bug in verify as it does not show up with ifort v13.Original comment by simone.c...@gmail.com on 2 Jan 2014 at 1:29
GoogleCodeExporter
commented
9 years ago check after Revision d0226051e1a1
FC_FLAGS = -m64 -fast -warn all -unroll
ifort V 14.0.0
./ggeom.in
works fine
----
./test small.in
works fine
----
./verify
A 4x4 periodic lattice with L = 12, dtau= 0.125
==============================
| CASE 1. Single site (t=0) |
==============================
Parameters : t = 0.00, mu = 0.50, U = 1.00, beta = 1.50,
============================================================================
Theoretical | Computed (avg +- error) | |T-C| : error
----------------------------------------------------------------------------
Density : 1.241030 | 1.241168 +- 0.000300 | 0.46 : 1.00
Energy : -0.310257 | -0.310148 +- 0.000236 | 0.46 : 1.00
Double occupancy : 0.310257 | 0.310436 +- 0.000386 | 0.46 : 1.00
============================================================================
Parameters : t = 0.00, mu = 0.50, U = 2.00, beta = 1.50,
============================================================================
Theoretical | Computed (avg +- error) | |T-C| : error
----------------------------------------------------------------------------
Density : 1.142359 | 1.142274 +- 0.000496 | 0.17 : 1.00
Energy : -0.204686 | -0.204863 +- 0.001028 | 0.17 : 1.00
Double occupancy : 0.366493 | 0.366274 +- 0.001276 | 0.17 : 1.00
============================================================================
Parameters : t = 0.00, mu = 0.50, U = 4.00, beta = 1.50,
============================================================================
Theoretical | Computed (avg +- error) | |T-C| : error
----------------------------------------------------------------------------
Density : 1.038462 | 1.038719 +- 0.000166 | 1.55 : 1.00
Energy : -0.321197 | -0.320002 +- 0.000770 | 1.55 : 1.00
Double occupancy : 0.198034 | 0.199357 +- 0.000853 | 1.55 : 1.00
============================================================================
Parameters : t = 0.00, mu = 0.00, U = 1.00, beta = 1.50,
============================================================================
Theoretical | Computed (avg +- error) | |T-C| : error
----------------------------------------------------------------------------
Density : 1.000000 | 1.000000 +- 0.000000 | 0.00 : 0.00
Energy : 0.160411 | 0.160316 +- 0.000360 | 0.26 : 1.00
Double occupancy : 0.160411 | 0.160316 +- 0.000360 | 0.26 : 1.00
============================================================================
Parameters : t = 0.00, mu = 0.00, U = 2.00, beta = 1.50,
============================================================================
Theoretical | Computed (avg +- error) | |T-C| : error
----------------------------------------------------------------------------
Density : 1.000000 | 1.000000 +- 0.000000 | 0.00 : 0.00
Energy : 0.182426 | 0.181958 +- 0.000769 | 0.61 : 1.00
Double occupancy : 0.182426 | 0.181958 +- 0.000769 | 0.61 : 1.00
============================================================================
Parameters : t = 0.00, mu = 0.00, U = 4.00, beta = 1.50,
============================================================================
Theoretical | Computed (avg +- error) | |T-C| : error
----------------------------------------------------------------------------
Density : 1.000000 | 1.000000 +- 0.000000 | 0.00 : 0.00
Energy : 0.094852 | 0.095298 +- 0.000582 | 0.77 : 1.00
Double occupancy : 0.094852 | 0.095298 +- 0.000582 | 0.77 : 1.00
============================================================================
Parameters : t = 0.00, mu = -0.50, U = 1.00, beta = 1.50,
============================================================================
Theoretical | Computed (avg +- error) | |T-C| : error
----------------------------------------------------------------------------
Density : 0.758970 | 0.759803 +- 0.000352 | 2.37 : 1.00
Energy : 0.448713 | 0.448890 +- 0.000075 | 2.37 : 1.00
Double occupancy : 0.069228 | 0.068989 +- 0.000101 | 2.37 : 1.00
============================================================================
Parameters : t = 0.00, mu = -0.50, U = 2.00, beta = 1.50,
============================================================================
Theoretical | Computed (avg +- error) | |T-C| : error
----------------------------------------------------------------------------
Density : 0.857641 | 0.857023 +- 0.000404 | 1.53 : 1.00
Energy : 0.510596 | 0.510642 +- 0.000030 | 1.53 : 1.00
Double occupancy : 0.081776 | 0.082131 +- 0.000232 | 1.53 : 1.00
============================================================================
Parameters : t = 0.00, mu = -0.50, U = 4.00, beta = 1.50,
============================================================================
Theoretical | Computed (avg +- error) | |T-C| : error
----------------------------------------------------------------------------
Density : 0.961538 | 0.961420 +- 0.000307 | 0.39 : 1.00
Energy : 0.524956 | 0.525033 +- 0.000199 | 0.39 : 1.00
Double occupancy : 0.044187 | 0.044323 +- 0.000352 | 0.39 : 1.00
============================================================================
==========================================
| CASE 2. No Coulomb interaction (U=0) |
==========================================
Parameters : t = 0.30, mu = 0.50, U = 0.00, beta = 1.50,
============================================================================
Theoretical | Computed (avg +- error) | |T-C| : error
----------------------------------------------------------------------------
Density : 1.308464 | NaN +- NaN | NaN : 1.00
forrtl: severe (174): SIGSEGV, segmentation fault occurred
Image PC Routine Line Source
verify 00000000010AF589 Unknown Unknown Unknown
verify 00000000010ADF00 Unknown Unknown Unknown
verify 0000000001064A02 Unknown Unknown Unknown
verify 0000000001022133 Unknown Unknown Unknown
verify 000000000102612B Unknown Unknown Unknown
verify 000000000101ED80 Unknown Unknown Unknown
verify 00000000004039A5 Unknown Unknown Unknown
verify 0000000000401EB6 Unknown Unknown Unknown
verify 00000000010C465C Unknown Unknown Unknown
verify 0000000000401D83 Unknown Unknown Unknown
==========================
FC_FLAGS = -m64 -warn all -unroll -O3
./ggeom in
Detected Geometry Free Format.
================================================================
Basic real space geometry info
Crystal atomic basis
0 0.0000000 0.0000000 0.0000000
Basis cell vectors
1.0000000 0.0000000 0.0000000
0.0000000 1.0000000 0.0000000
0.0000000 0.0000000 1000.0000000
Supercell vectors (fractionary unit)
4 0 0
0 4 0
0 0 1
Super-Lattice vectors (cartesian)
4.0000000 0.0000000 0.0000000
0.0000000 4.0000000 0.0000000
0.0000000 0.0000000 1000.0000000
================================================================
Real space lattice
Number of orbitals in primitive cell: 1
Total number of orbitals: 16
index label type X Y Z
0 s0 0 0.00000 0.00000 0.00000
1 s0 0 1.00000 0.00000 0.00000
2 s0 0 2.00000 0.00000 0.00000
3 s0 0 3.00000 0.00000 0.00000
4 s0 0 0.00000 1.00000 0.00000
5 s0 0 1.00000 1.00000 0.00000
6 s0 0 2.00000 1.00000 0.00000
7 s0 0 3.00000 1.00000 0.00000
8 s0 0 0.00000 2.00000 0.00000
9 s0 0 1.00000 2.00000 0.00000
10 s0 0 2.00000 2.00000 0.00000
11 s0 0 3.00000 2.00000 0.00000
12 s0 0 0.00000 3.00000 0.00000
13 s0 0 1.00000 3.00000 0.00000
14 s0 0 2.00000 3.00000 0.00000
15 s0 0 3.00000 3.00000 0.00000
================================================================
forrtl: severe (173): A pointer passed to DEALLOCATE points to an object that
cannot be deallocated
Image PC Routine Line Source
ggeom 0000000000580471 Unknown Unknown Unknown
ggeom 000000000057F8F3 Unknown Unknown Unknown
ggeom 00000000004150D6 Unknown Unknown Unknown
ggeom 000000000040655F Unknown Unknown Unknown
ggeom 0000000000403B26 Unknown Unknown Unknown
libc.so.6 00007FB101EE7DE5 Unknown Unknown Unknown
ggeom 0000000000403A19 Unknown Unknown Unknown
----
./test small.in
works fine
----
./verify
works fine
==========================
FC_FLAGS = -m64 -warn all -traceback -check pointers -check bounds
-fstack-security-check
./ggeom in
works fine
----
./test small.in
works fine
----
./verify
works fine
=========================================
So far, it looks the same for on my laptop.
Original comment by iglovi...@gmail.com on 2 Jan 2014 at 2:12
GoogleCodeExporter
commented
9 years ago I found another pointer whose status was checked before being initialized.
This is fixed in revision: 38c07acd5f63 .
Any fix beyond this will require access to v14 of the intel compiler as v13
runs, and has been running since the previous revision, just fine. Original comment by simone.c...@gmail.com on 2 Jan 2014 at 4:23
GoogleCodeExporter
commented
9 years ago Did you try to enable time dependent measurements?
All errors that I posted, happened with tdm = 1.
I will doublecheck on some other computer and with tdm = 0.Original comment by iglovi...@gmail.com on 2 Jan 2014 at 5:26
GoogleCodeExporter
commented
9 years ago I am trying on some other computer after your last bugfix.
uname -r
3.8.0-33-generic
ifort -v
ifort version 14.0.0
FC_FLAGS = -m64 -fast -warn all -unroll
./ggeom in
fine
----
./test small.in
fine
---
./verify
fine
=======
FC_FLAGS = -m64 -warn all -unroll -O3
./ggeom in
fine
----
./test small.in
fine
---
./verify
fine
======
FC_FLAGS = -m64 -warn all -traceback -check pointers -check bounds
-fstack-security-check
./ggeom in
fine
----
./test small.in
fine
---
./verify
fine
=======================
Conclusion.
[1] Your last bugfix fixed the bug.
[2] Somehow bug that I was seeing on computer with Ubuntu 13.10, but not on the
computer with ubuntu 13.04 is issue of the gcc (Intel MKL uses some GCC
headers) (4.7.3 vs 4.8) or it is issue of the kernel or something else.
[3] Issue of my other computer that I do not understand.
Anyway, I am closing this bugreport.
Original comment by iglovi...@gmail.com on 2 Jan 2014 at 6:26
Original issue reported on code.google.com by
iglovi...@gmail.comon 27 Dec 2013 at 3:37