Task 38672338

Name test_834-GPUGRID_TEST_ATM_40STEP_20261023-10-40-RND8819_0
Workunit 31614489
Created 25 Oct 2026, 23:08:04 UTC
Sent 25 Oct 2026, 23:08:08 UTC
Report deadline 30 Oct 2026, 23:08:08 UTC
Received 26 Oct 2026, 4:58:48 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 632067
Run time 1 hours 55 min 21 sec
CPU time 1 hours 50 min 34 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 4,333.07 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 720.43 MB
Peak swap size 8.38 GB
Peak disk usage 3.74 GB

Stderr output

<core_client_version>8.2.4</core_client_version>
<![CDATA[
<stderr_txt>
18:12:58 (11848): wrapper (7.9.26016): starting
18:12:58 (11848): 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
18:12:59 (11848): Library/usr/bin/tar.exe exited; CPU time 0.015625
18:12:59 (11848): 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 'C:\ProgramData\BOINC\slots\0\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 'C:\ProgramData\BOINC\slots\0\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) : {3835350} normal block at 0x00000229AC9605E0, 8 bytes long.
 Data: <    )   > 00 00 EA AC 29 02 00 00 
..\lib\diagnostics_win.cpp(417) : {3833964} normal block at 0x00000229AC94F9F0, 1080 bytes long.
 Data: <        4       > 08 87 00 00 CD CD CD CD 34 01 00 00 00 00 00 00 
..\zip\boinc_zip.cpp(122) : {314} normal block at 0x00000229AC9571B0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
Object dump complete.
19:07:52 (15516): wrapper (7.9.26016): starting
19:07:52 (15516): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
A subdirectory or file C:\ProgramData\BOINC\slots\0\tmp already exists.
Warning: importing 'simtk.openmm' is deprecated.  Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1693} normal block at 0x0000023282E361C0, 8 bytes long.
 Data: <  , 2   > 00 00 2C 83 32 02 00 00 
..\lib\diagnostics_win.cpp(417) : {307} normal block at 0x0000023282E37000, 1080 bytes long.
 Data: <T       H       > 54 81 00 00 CD CD CD CD 48 01 00 00 00 00 00 00 
Object dump complete.
19:13:39 (27832): wrapper (7.9.26016): starting
19:13:39 (27832): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
A subdirectory or file C:\ProgramData\BOINC\slots\0\tmp already exists.
Warning: importing 'simtk.openmm' is deprecated.  Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1693} normal block at 0x00000267023D63F0, 8 bytes long.
 Data: <  4 g   > 00 00 34 02 67 02 00 00 
..\lib\diagnostics_win.cpp(417) : {307} normal block at 0x00000267023D7000, 1080 bytes long.
 Data: <        H       > 18 87 00 00 CD CD CD CD 48 01 00 00 00 00 00 00 
Object dump complete.
19:23:21 (32360): wrapper (7.9.26016): starting
19:23:21 (32360): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
A subdirectory or file C:\ProgramData\BOINC\slots\0\tmp already exists.
Warning: importing 'simtk.openmm' is deprecated.  Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1693} normal block at 0x000001FD962E8740, 8 bytes long.
 Data: <  k     > 00 00 6B 96 FD 01 00 00 
..\lib\diagnostics_win.cpp(417) : {307} normal block at 0x000001FD962E88A0, 1080 bytes long.
 Data: < 3      \       > 20 33 00 00 CD CD CD CD 5C 01 00 00 00 00 00 00 
Object dump complete.
20:36:51 (28900): wrapper (7.9.26016): starting
20:36:51 (28900): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
A subdirectory or file C:\ProgramData\BOINC\slots\0\tmp already exists.
Warning: importing 'simtk.openmm' is deprecated.  Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1693} normal block at 0x000001DD9F346440, 8 bytes long.
 Data: <  1     > 00 00 31 9F DD 01 00 00 
..\lib\diagnostics_win.cpp(417) : {307} normal block at 0x000001DD9F347000, 1080 bytes long.
 Data: < /      \       > B4 2F 00 00 CD CD CD CD 5C 01 00 00 00 00 00 00 
Object dump complete.
20:49:33 (16932): wrapper (7.9.26016): starting
20:49:33 (16932): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
A subdirectory or file C:\ProgramData\BOINC\slots\0\tmp already exists.
Warning: importing 'simtk.openmm' is deprecated.  Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1693} normal block at 0x000001A560506300, 8 bytes long.
 Data: <   `    > 00 00 8C 60 A5 01 00 00 
..\lib\diagnostics_win.cpp(417) : {307} normal block at 0x000001A560507000, 1080 bytes long.
 Data: <T<      H       > 54 3C 00 00 CD CD CD CD 48 01 00 00 00 00 00 00 
Object dump complete.
20:58:10 (21748): wrapper (7.9.26016): starting
20:58:10 (21748): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
A subdirectory or file C:\ProgramData\BOINC\slots\0\tmp already exists.
Warning: importing 'simtk.openmm' is deprecated.  Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1693} normal block at 0x000001F301A875A0, 8 bytes long.
 Data: <        > 00 00 F6 01 F3 01 00 00 
..\lib\diagnostics_win.cpp(417) : {307} normal block at 0x000001F301A87DF0, 1080 bytes long.
 Data: < \      P       > B4 5C 00 00 CD CD CD CD 50 01 00 00 00 00 00 00 
Object dump complete.
21:22:19 (32564): wrapper (7.9.26016): starting
21:22:19 (32564): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
A subdirectory or file C:\ProgramData\BOINC\slots\0\tmp already exists.
Warning: importing 'simtk.openmm' is deprecated.  Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1693} normal block at 0x0000012E87A36710, 8 bytes long.
 Data: <    .   > 00 00 9B 87 2E 01 00 00 
..\lib\diagnostics_win.cpp(417) : {307} normal block at 0x0000012E87A37000, 1080 bytes long.
 Data: < _      H       > AC 5F 00 00 CD CD CD CD 48 01 00 00 00 00 00 00 
Object dump complete.
21:44:00 (15452): wrapper (7.9.26016): starting
21:44:00 (15452): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
A subdirectory or file C:\ProgramData\BOINC\slots\0\tmp already exists.
Warning: importing 'simtk.openmm' is deprecated.  Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1693} normal block at 0x0000018500685EF0, 8 bytes long.
 Data: <        > 00 00 D5 00 85 01 00 00 
..\lib\diagnostics_win.cpp(417) : {307} normal block at 0x0000018500687000, 1080 bytes long.
 Data: < t      \       > EC 74 00 00 CD CD CD CD 5C 01 00 00 00 00 00 00 
Object dump complete.
22:46:55 (304): wrapper (7.9.26016): starting
22:46:55 (304): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
A subdirectory or file C:\ProgramData\BOINC\slots\0\tmp already exists.
Warning: importing 'simtk.openmm' is deprecated.  Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1693} normal block at 0x00000218544B62C0, 8 bytes long.
 Data: <  GT    > 00 00 47 54 18 02 00 00 
..\lib\diagnostics_win.cpp(417) : {307} normal block at 0x00000218544B6CA0, 1080 bytes long.
 Data: < u      \       > 0C 75 00 00 CD CD CD CD 5C 01 00 00 00 00 00 00 
Object dump complete.
23:00:53 (19392): wrapper (7.9.26016): starting
23:00:53 (19392): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
A subdirectory or file C:\ProgramData\BOINC\slots\0\tmp already exists.
Warning: importing 'simtk.openmm' is deprecated.  Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1693} normal block at 0x00000232C28C6990, 8 bytes long.
 Data: <    2   > 00 00 D8 C2 32 02 00 00 
..\lib\diagnostics_win.cpp(417) : {307} normal block at 0x00000232C28C7000, 1080 bytes long.
 Data: < F      H       > 1C 46 00 00 CD CD CD CD 48 01 00 00 00 00 00 00 
Object dump complete.
23:41:11 (20956): wrapper (7.9.26016): starting
23:41:11 (20956): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
A subdirectory or file C:\ProgramData\BOINC\slots\0\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
23:58:19 (20956): C:/Windows/system32/cmd.exe exited; CPU time 975.187500
23:58:19 (20956): 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: 17211810 bytes.
Dumping objects ->
{1781} normal block at 0x0000022B388153B0, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{1770} normal block at 0x0000022B38815110, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{1759} normal block at 0x0000022B38814F50, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{1748} normal block at 0x0000022B388152D0, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{1737} normal block at 0x0000022B388150A0, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{1706} normal block at 0x0000022B38801150, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
..\api\boinc_api.cpp(309) : {1693} normal block at 0x0000022B38815A00, 8 bytes long.
 Data: <   8+   > 00 00 ED 38 2B 02 00 00 
{308} normal block at 0x0000022B38815FF0, 8 bytes long.
 Data: < l 8+   > A0 6C 81 38 2B 02 00 00 
{299} normal block at 0x0000022B388005A0, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{298} normal block at 0x0000022B38815CD0, 16 bytes long.
 Data: < k 8+           > A8 6B 81 38 2B 02 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x0000022B38815FA0, 16 bytes long.
 Data: < k 8+           > 80 6B 81 38 2B 02 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x0000022B3880E800, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{295} normal block at 0x0000022B38816220, 16 bytes long.
 Data: <Xk 8+           > 58 6B 81 38 2B 02 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x0000022B38815910, 16 bytes long.
 Data: <0k 8+           > 30 6B 81 38 2B 02 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x0000022B388165E0, 16 bytes long.
 Data: < k 8+           > 08 6B 81 38 2B 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x0000022B38816310, 16 bytes long.
 Data: < j 8+           > E0 6A 81 38 2B 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x0000022B38814E70, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{290} normal block at 0x0000022B38816180, 16 bytes long.
 Data: <   8+           > 98 BD 7F 38 2B 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x0000022B3880E740, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{288} normal block at 0x0000022B38815C30, 16 bytes long.
 Data: <p  8+           > 70 BD 7F 38 2B 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x0000022B38815F50, 16 bytes long.
 Data: <H  8+           > 48 BD 7F 38 2B 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x0000022B38815A50, 16 bytes long.
 Data: <   8+           > 20 BD 7F 38 2B 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x0000022B38815B90, 16 bytes long.
 Data: <   8+           > F8 BC 7F 38 2B 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x0000022B38816450, 16 bytes long.
 Data: <   8+           > D0 BC 7F 38 2B 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x0000022B38816720, 16 bytes long.
 Data: <   8+           > A8 BC 7F 38 2B 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x0000022B3880ED40, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{280} normal block at 0x0000022B388167C0, 16 bytes long.
 Data: <   8+           > 80 BC 7F 38 2B 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x0000022B387FBC80, 320 bytes long.
 Data: < g 8+   @  8+   > C0 67 81 38 2B 02 00 00 40 ED 80 38 2B 02 00 00 
{278} normal block at 0x0000022B38816680, 16 bytes long.
 Data: < j 8+           > C0 6A 81 38 2B 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x0000022B38815AF0, 16 bytes long.
 Data: < j 8+           > 98 6A 81 38 2B 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x0000022B3880F2E0, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{275} normal block at 0x0000022B38816090, 16 bytes long.
 Data: <pj 8+           > 70 6A 81 38 2B 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x0000022B3880EE60, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{273} normal block at 0x0000022B38816360, 16 bytes long.
 Data: < i 8+           > B8 69 81 38 2B 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x0000022B38815DC0, 16 bytes long.
 Data: < i 8+           > 90 69 81 38 2B 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x0000022B388158C0, 16 bytes long.
 Data: <hi 8+           > 68 69 81 38 2B 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x0000022B38816040, 16 bytes long.
 Data: <@i 8+           > 40 69 81 38 2B 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x0000022B38815EB0, 16 bytes long.
 Data: < i 8+           > 18 69 81 38 2B 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x0000022B38815B40, 16 bytes long.
 Data: < h 8+           > F0 68 81 38 2B 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x0000022B38816810, 16 bytes long.
 Data: <@S 8+           > 40 53 81 38 2B 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x0000022B38815340, 40 bytes long.
 Data: < h 8+   P  8+   > 10 68 81 38 2B 02 00 00 50 11 80 38 2B 02 00 00 
{264} normal block at 0x0000022B38815D70, 16 bytes long.
 Data: < h 8+           > D0 68 81 38 2B 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x0000022B38815C80, 16 bytes long.
 Data: < h 8+           > A8 68 81 38 2B 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x0000022B3880E560, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{261} normal block at 0x0000022B38816130, 16 bytes long.
 Data: < h 8+           > 80 68 81 38 2B 02 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x0000022B38816880, 992 bytes long.
 Data: <0a 8+   `  8+   > 30 61 81 38 2B 02 00 00 60 E5 80 38 2B 02 00 00 
{96} normal block at 0x0000022B3880EF80, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{95} normal block at 0x0000022B38810910, 16 bytes long.
 Data: <   8+           > A0 C9 7F 38 2B 02 00 00 00 00 00 00 00 00 00 00 
{94} normal block at 0x0000022B387FC9A0, 40 bytes long.
 Data: <   8+      8+   > 10 09 81 38 2B 02 00 00 80 EF 80 38 2B 02 00 00 
{73} normal block at 0x0000022B388105A0, 16 bytes long.
 Data: <  #             > 80 EA 23 18 F6 7F 00 00 00 00 00 00 00 00 00 00 
{72} normal block at 0x0000022B38810A50, 16 bytes long.
 Data: <@ #             > 40 E9 23 18 F6 7F 00 00 00 00 00 00 00 00 00 00 
{71} normal block at 0x0000022B38810B90, 16 bytes long.
 Data: < W              > F8 57 20 18 F6 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x0000022B38811040, 16 bytes long.
 Data: < W              > D8 57 20 18 F6 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x0000022B38810D70, 16 bytes long.
 Data: <P               > 50 04 20 18 F6 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x0000022B388110E0, 16 bytes long.
 Data: <0               > 30 04 20 18 F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x0000022B388106E0, 16 bytes long.
 Data: <                > E0 02 20 18 F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x0000022B38810FF0, 16 bytes long.
 Data: <                > 10 04 20 18 F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x0000022B388107D0, 16 bytes long.
 Data: <p               > 70 04 20 18 F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x0000022B38810EB0, 16 bytes long.
 Data: <                > 18 C0 1E 18 F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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