Task 38651463

Name test_10-GPUGRID_TEST_ATM_4STEP_20261023-3-4-RND2689_1
Workunit 31595774
Created 24 Oct 2026, 1:45:05 UTC
Sent 24 Oct 2026, 1:59:34 UTC
Report deadline 29 Oct 2026, 1:59:34 UTC
Received 24 Oct 2026, 8:12:29 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 627263
Run time 40 min 34 sec
CPU time 30 min 5 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 34,102.83 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 5.16 GB
Peak swap size 6.99 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
22:30:49 (37972): wrapper (7.9.26016): starting
22:30:49 (37972): wrapper: running Library/usr/bin/tar.exe (xjvf input.tar.bz2)
QB_A34_A12_0.pdb
QB_A34_A12_0.xml
QB_A34_A12_input.yaml
QB_A34_A12.pdb
QB_A34_A12.prmtop
QB_A34_A12_sys.xml
run.bat
run.sh
22:30:50 (37972): Library/usr/bin/tar.exe exited; CPU time 0.000000
22:30:50 (37972): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {3838161} normal block at 0x0000015823B5D830, 8 bytes long.
 Data: <   #X   > 00 00 ED 23 58 01 00 00 
..\lib\diagnostics_win.cpp(417) : {3837002} normal block at 0x00000158257B4280, 1080 bytes long.
 Data: <x       d       > 78 C2 00 00 CD CD CD CD 64 03 00 00 00 00 00 00 
..\zip\boinc_zip.cpp(122) : {311} normal block at 0x0000015823B61AE0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
Object dump complete.
22:33:26 (49820): wrapper (7.9.26016): starting
22:33:26 (49820): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
  WARNING: The script pyaml.exe is installed in 'D:\ProgramData\BOINC\slots\2\Scripts' which is not on PATH.
  Consider adding this directory to PATH or, if you prefer to suppress this warning, use --no-warn-script-location.
  WARNING: The scripts abfe_production.exe, abfe_structprep.exe, make_atm_system_from_amber.exe, make_atm_system_from_pdb.exe, make_atm_system_from_rcpt_lig.exe, rbfe_production.exe and rbfe_structprep.exe are installed in 'D:\ProgramData\BOINC\slots\2\Scripts' which is not on PATH.
  Consider adding this directory to PATH or, if you prefer to suppress this warning, use --no-warn-script-location.
Warning: importing 'simtk.openmm' is deprecated.  Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1463} normal block at 0x0000022A6CEF76B0, 8 bytes long.
 Data: <  Nm*   > 00 00 4E 6D 2A 02 00 00 
..\lib\diagnostics_win.cpp(417) : {304} normal block at 0x0000022A6CEF79F0, 1080 bytes long.
 Data: <@       D       > 40 B0 00 00 CD CD CD CD 44 01 00 00 00 00 00 00 
Object dump complete.
22:47:13 (43684): wrapper (7.9.26016): starting
22:47:13 (43684): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
A subdirectory or file D:\ProgramData\BOINC\slots\2\tmp already exists.
Warning: importing 'simtk.openmm' is deprecated.  Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1463} normal block at 0x0000018820256F10, 8 bytes long.
 Data: <  "     > 00 00 22 20 88 01 00 00 
..\lib\diagnostics_win.cpp(417) : {304} normal block at 0x00000188202570C0, 1080 bytes long.
 Data: <        T       > D8 95 00 00 CD CD CD CD 54 01 00 00 00 00 00 00 
Object dump complete.
22:52:14 (42296): wrapper (7.9.26016): starting
22:52:14 (42296): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
A subdirectory or file D:\ProgramData\BOINC\slots\2\tmp already exists.
Warning: importing 'simtk.openmm' is deprecated.  Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1463} normal block at 0x00000197FDB06F10, 8 bytes long.
 Data: <        > 00 00 FB FD 97 01 00 00 
..\lib\diagnostics_win.cpp(417) : {304} normal block at 0x00000197FDB070C0, 1080 bytes long.
 Data: <d       P       > 64 94 00 00 CD CD CD CD 50 01 00 00 00 00 00 00 
Object dump complete.
23:45:11 (39060): wrapper (7.9.26016): starting
23:45:11 (39060): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
A subdirectory or file D:\ProgramData\BOINC\slots\2\tmp already exists.
Warning: importing 'simtk.openmm' is deprecated.  Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1463} normal block at 0x00000123F3396F70, 8 bytes long.
 Data: <    #   > 00 00 8C F3 23 01 00 00 
..\lib\diagnostics_win.cpp(417) : {304} normal block at 0x00000123F3397080, 1080 bytes long.
 Data: <        D       > CC AF 00 00 CD CD CD CD 44 01 00 00 00 00 00 00 
Object dump complete.
02:38:15 (20584): wrapper (7.9.26016): starting
02:38:15 (20584): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
A subdirectory or file D:\ProgramData\BOINC\slots\2\tmp already exists.
Warning: importing 'simtk.openmm' is deprecated.  Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1463} normal block at 0x000001B20F116290, 8 bytes long.
 Data: <  ^     > 00 00 5E 0F B2 01 00 00 
..\lib\diagnostics_win.cpp(417) : {304} normal block at 0x000001B20F116DA0, 1080 bytes long.
 Data: <        D       > 8C 1B 00 00 CD CD CD CD 44 01 00 00 00 00 00 00 
Object dump complete.
02:47:21 (46476): wrapper (7.9.26016): starting
02:47:21 (46476): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
A subdirectory or file D:\ProgramData\BOINC\slots\2\tmp already exists.
Warning: importing 'simtk.openmm' is deprecated.  Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1463} normal block at 0x0000020CC71E61A0, 8 bytes long.
 Data: <        > 00 00 17 C7 0C 02 00 00 
..\lib\diagnostics_win.cpp(417) : {304} normal block at 0x0000020CC71E6DA0, 1080 bytes long.
 Data: <        H       > 08 91 00 00 CD CD CD CD 48 01 00 00 00 00 00 00 
Object dump complete.
02:52:21 (42844): wrapper (7.9.26016): starting
02:52:21 (42844): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
A subdirectory or file D:\ProgramData\BOINC\slots\2\tmp already exists.
Warning: importing 'simtk.openmm' is deprecated.  Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1463} normal block at 0x000001C59EDE6560, 8 bytes long.
 Data: <  (     > 00 00 28 9F C5 01 00 00 
..\lib\diagnostics_win.cpp(417) : {304} normal block at 0x000001C59EDE6DA0, 1080 bytes long.
 Data: < 4              > E0 34 00 00 CD CD CD CD D0 00 00 00 00 00 00 00 
Object dump complete.
03:21:24 (38708): wrapper (7.9.26016): starting
03:21:24 (38708): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
A subdirectory or file D:\ProgramData\BOINC\slots\2\tmp already exists.
Warning: importing 'simtk.openmm' is deprecated.  Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1463} normal block at 0x000002AB1D3B6380, 8 bytes long.
 Data: <  t     > 00 00 74 1D AB 02 00 00 
..\lib\diagnostics_win.cpp(417) : {304} normal block at 0x000002AB1D3B70C0, 1080 bytes long.
 Data: <        D       > 04 AE 00 00 CD CD CD CD 44 01 00 00 00 00 00 00 
Object dump complete.
03:26:24 (50264): wrapper (7.9.26016): starting
03:26:24 (50264): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
A subdirectory or file D:\ProgramData\BOINC\slots\2\tmp already exists.
Warning: importing 'simtk.openmm' is deprecated.  Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1463} normal block at 0x00000195C9396A60, 8 bytes long.
 Data: <        > 00 00 88 C9 95 01 00 00 
..\lib\diagnostics_win.cpp(417) : {304} normal block at 0x00000195C93970C0, 1080 bytes long.
 Data: <        D       > 10 A3 00 00 CD CD CD CD 44 01 00 00 00 00 00 00 
Object dump complete.
03:35:23 (25192): wrapper (7.9.26016): starting
03:35:23 (25192): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
A subdirectory or file D:\ProgramData\BOINC\slots\2\tmp already exists.
Warning: importing 'simtk.openmm' is deprecated.  Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1463} normal block at 0x000001F57575A420, 8 bytes long.
 Data: <   u    > 00 00 C4 75 F5 01 00 00 
..\lib\diagnostics_win.cpp(417) : {304} normal block at 0x000001F57575A8B0, 1080 bytes long.
 Data: < #      \       > D0 23 00 00 CD CD CD CD 5C 01 00 00 00 00 00 00 
Object dump complete.
03:39:39 (18672): wrapper (7.9.26016): starting
03:39:39 (18672): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
A subdirectory or file D:\ProgramData\BOINC\slots\2\tmp already exists.
Warning: importing 'simtk.openmm' is deprecated.  Import 'openmm' instead.
tar: run.log: file changed as we read it
tar: r*/*.dcd: Cannot stat: No such file or directory
tar: r*/*.xtc: Cannot stat: No such file or directory
tar: Exiting with failure status due to previous errors
04:11:34 (18672): C:/Windows/system32/cmd.exe exited; CPU time 1450.031250
04:11:34 (18672): called boinc_finish(0)
0 bytes in 0 Free Blocks.
256 bytes in 6 Normal Blocks.
1144 bytes in 1 CRT Blocks.
0 bytes in 0 Ignore Blocks.
0 bytes in 0 Client Blocks.
Largest number used: 0 bytes.
Total allocations: 40398308 bytes.
Dumping objects ->
{1551} normal block at 0x000002315D336410, 48 bytes long.
 Data: <PATH=D:\ProgramD> 50 41 54 48 3D 44 3A 5C 50 72 6F 67 72 61 6D 44 
{1540} normal block at 0x000002315D336790, 48 bytes long.
 Data: <HOME=D:\ProgramD> 48 4F 4D 45 3D 44 3A 5C 50 72 6F 67 72 61 6D 44 
{1529} normal block at 0x000002315D336330, 48 bytes long.
 Data: <TMP=D:\ProgramDa> 54 4D 50 3D 44 3A 5C 50 72 6F 67 72 61 6D 44 61 
{1518} normal block at 0x000002315D3362C0, 48 bytes long.
 Data: <TEMP=D:\ProgramD> 54 45 4D 50 3D 44 3A 5C 50 72 6F 67 72 61 6D 44 
{1507} normal block at 0x000002315D336720, 48 bytes long.
 Data: <TMPDIR=D:\Progra> 54 4D 50 44 49 52 3D 44 3A 5C 50 72 6F 67 72 61 
{1476} normal block at 0x000002315D32A460, 64 bytes long.
 Data: <PATH=D:\ProgramD> 50 41 54 48 3D 44 3A 5C 50 72 6F 67 72 61 6D 44 
..\api\boinc_api.cpp(309) : {1463} normal block at 0x000002315D337140, 8 bytes long.
 Data: <   ]1   > 00 00 7F 5D 31 02 00 00 
{305} normal block at 0x000002315D3374B0, 8 bytes long.
 Data: < |3]1   > F0 7C 33 5D 31 02 00 00 
{296} normal block at 0x000002315D327E10, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{295} normal block at 0x000002315D337460, 16 bytes long.
 Data: < k3]1           > E8 6B 33 5D 31 02 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x000002315D337280, 16 bytes long.
 Data: < k3]1           > C0 6B 33 5D 31 02 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x000002315D330710, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{292} normal block at 0x000002315D337A50, 16 bytes long.
 Data: < k3]1           > 98 6B 33 5D 31 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x000002315D3376E0, 16 bytes long.
 Data: <pk3]1           > 70 6B 33 5D 31 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x000002315D3379B0, 16 bytes long.
 Data: <Hk3]1           > 48 6B 33 5D 31 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x000002315D3370F0, 16 bytes long.
 Data: < k3]1           > 20 6B 33 5D 31 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x000002315D336170, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{287} normal block at 0x000002315D337A00, 16 bytes long.
 Data: <8 1]1           > 38 EB 31 5D 31 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x000002315D330EF0, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{285} normal block at 0x000002315D337960, 16 bytes long.
 Data: <  1]1           > 10 EB 31 5D 31 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000002315D337690, 16 bytes long.
 Data: <  1]1           > E8 EA 31 5D 31 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000002315D3378C0, 16 bytes long.
 Data: <  1]1           > C0 EA 31 5D 31 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000002315D3375F0, 16 bytes long.
 Data: <  1]1           > 98 EA 31 5D 31 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000002315D336D80, 16 bytes long.
 Data: <p 1]1           > 70 EA 31 5D 31 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000002315D337050, 16 bytes long.
 Data: <H 1]1           > 48 EA 31 5D 31 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x000002315D331250, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{277} normal block at 0x000002315D3373C0, 16 bytes long.
 Data: <  1]1           > 20 EA 31 5D 31 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x000002315D31EA20, 320 bytes long.
 Data: < s3]1   P 3]1   > C0 73 33 5D 31 02 00 00 50 12 33 5D 31 02 00 00 
{275} normal block at 0x000002315D336F60, 16 bytes long.
 Data: < k3]1           > 00 6B 33 5D 31 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x000002315D336D30, 16 bytes long.
 Data: < j3]1           > D8 6A 33 5D 31 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x000002315D330830, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{272} normal block at 0x000002315D336E20, 16 bytes long.
 Data: < j3]1           > B0 6A 33 5D 31 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x000002315D3307D0, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{270} normal block at 0x000002315D337910, 16 bytes long.
 Data: < i3]1           > F8 69 33 5D 31 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000002315D3370A0, 16 bytes long.
 Data: < i3]1           > D0 69 33 5D 31 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000002315D337320, 16 bytes long.
 Data: < i3]1           > A8 69 33 5D 31 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000002315D337870, 16 bytes long.
 Data: < i3]1           > 80 69 33 5D 31 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000002315D337AF0, 16 bytes long.
 Data: <Xi3]1           > 58 69 33 5D 31 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x000002315D32EA70, 16 bytes long.
 Data: <0i3]1           > 30 69 33 5D 31 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x000002315D32E570, 16 bytes long.
 Data: <`e3]1           > 60 65 33 5D 31 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x000002315D336560, 40 bytes long.
 Data: <p 2]1   ` 2]1   > 70 E5 32 5D 31 02 00 00 60 A4 32 5D 31 02 00 00 
{261} normal block at 0x000002315D32F3D0, 16 bytes long.
 Data: < i3]1           > 10 69 33 5D 31 02 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x000002315D32E930, 16 bytes long.
 Data: < h3]1           > E8 68 33 5D 31 02 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x000002315D330BF0, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{258} normal block at 0x000002315D32F330, 16 bytes long.
 Data: < h3]1           > C0 68 33 5D 31 02 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x000002315D3368C0, 992 bytes long.
 Data: <0 2]1     3]1   > 30 F3 32 5D 31 02 00 00 F0 0B 33 5D 31 02 00 00 
{93} normal block at 0x000002315D3306B0, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{92} normal block at 0x000002315D32F060, 16 bytes long.
 Data: <@f3]1           > 40 66 33 5D 31 02 00 00 00 00 00 00 00 00 00 00 
{91} normal block at 0x000002315D336640, 40 bytes long.
 Data: <` 2]1     3]1   > 60 F0 32 5D 31 02 00 00 B0 06 33 5D 31 02 00 00 
{70} normal block at 0x000002315D32E610, 16 bytes long.
 Data: <  *             > 80 EA 2A E5 F6 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x000002315D32EC50, 16 bytes long.
 Data: <@ *             > 40 E9 2A E5 F6 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x000002315D32E7F0, 16 bytes long.
 Data: < W'             > F8 57 27 E5 F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x000002315D32EB60, 16 bytes long.
 Data: < W'             > D8 57 27 E5 F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000002315D32F150, 16 bytes long.
 Data: <P '             > 50 04 27 E5 F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000002315D32EC00, 16 bytes long.
 Data: <0 '             > 30 04 27 E5 F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x000002315D32F100, 16 bytes long.
 Data: <  '             > E0 02 27 E5 F6 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x000002315D32EFC0, 16 bytes long.
 Data: <  '             > 10 04 27 E5 F6 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x000002315D32EBB0, 16 bytes long.
 Data: <p '             > 70 04 27 E5 F6 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x000002315D32F470, 16 bytes long.
 Data: <  %             > 18 C0 25 E5 F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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