Task 38665289
| Name | test_561-GPUGRID_TEST_ATM_100SAMPLES_20261025-0-1-RND3594_0 |
| Workunit | 31608396 |
| Created | 25 Oct 2026, 0:58:46 UTC |
| Sent | 25 Oct 2026, 1:02:43 UTC |
| Report deadline | 30 Oct 2026, 1:02:43 UTC |
| Received | 25 Oct 2026, 19:44:10 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 626877 |
| Run time | 3 hours 28 min 58 sec |
| CPU time | 3 hours 21 min 4 sec |
| Validate state | Valid |
| Credit | 600,000.00 |
| Device peak FLOPS | 35,915.31 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 703.93 MB |
| Peak swap size | 6.93 GB |
| Peak disk usage | 2.97 GB |
Stderr output
<core_client_version>8.2.9</core_client_version>
<![CDATA[
<stderr_txt>
00:51:13 (13208): wrapper (7.9.26016): starting
00:51:13 (13208): 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
00:51:14 (13208): Library/usr/bin/tar.exe exited; CPU time 0.000000
00:51:14 (13208): 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\13\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\13\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) : {3835125} normal block at 0x0000027CC44ADA50, 8 bytes long.
Data: < | > 00 00 A5 C4 7C 02 00 00
..\lib\diagnostics_win.cpp(417) : {3833962} normal block at 0x0000027CC60EE480, 1080 bytes long.
Data: <t~ > 74 7E 00 00 CD CD CD CD CC 01 00 00 00 00 00 00
..\zip\boinc_zip.cpp(122) : {313} normal block at 0x0000027CC44B0DF0, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
Object dump complete.
10:41:55 (35016): wrapper (7.9.26016): starting
10:41:55 (35016): 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) : {1469} normal block at 0x000001D33DE65980, 8 bytes long.
Data: < = > 00 00 E2 3D D3 01 00 00
..\lib\diagnostics_win.cpp(417) : {306} normal block at 0x000001D33DE66A40, 1080 bytes long.
Data: << P > 3C 8C 00 00 CD CD CD CD 50 01 00 00 00 00 00 00
Object dump complete.
12:02:22 (14832): wrapper (7.9.26016): starting
12:02:22 (14832): 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\13\tmp already exists.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1469} normal block at 0x00000226CB0A57E0, 8 bytes long.
Data: < o & > 00 00 6F CB 26 02 00 00
..\lib\diagnostics_win.cpp(417) : {306} normal block at 0x00000226CB0A6A30, 1080 bytes long.
Data: <Px H > 50 78 00 00 CD CD CD CD 48 01 00 00 00 00 00 00
Object dump complete.
12:12:33 (37116): wrapper (7.9.26016): starting
12:12:33 (37116): 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\13\tmp already exists.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1469} normal block at 0x000001F6DA776250, 8 bytes long.
Data: < > 00 00 CD DA F6 01 00 00
..\lib\diagnostics_win.cpp(417) : {306} normal block at 0x000001F6DA776A50, 1080 bytes long.
Data: < L > CC 11 00 00 CD CD CD CD 4C 01 00 00 00 00 00 00
Object dump complete.
14:45:16 (38064): wrapper (7.9.26016): starting
14:45:16 (38064): 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\13\tmp already exists.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1469} normal block at 0x000001DDD06D5BC0, 8 bytes long.
Data: < > 00 00 B9 D0 DD 01 00 00
..\lib\diagnostics_win.cpp(417) : {306} normal block at 0x000001DDD06D6A50, 1080 bytes long.
Data: < j \ > EC 6A 00 00 CD CD CD CD 5C 01 00 00 00 00 00 00
Object dump complete.
14:52:44 (6356): wrapper (7.9.26016): starting
14:52:44 (6356): 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\13\tmp already exists.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1469} normal block at 0x0000024989335F80, 8 bytes long.
Data: < I > 00 00 D7 8A 49 02 00 00
..\lib\diagnostics_win.cpp(417) : {306} normal block at 0x0000024989336A50, 1080 bytes long.
Data: <D L > 44 85 00 00 CD CD CD CD 4C 01 00 00 00 00 00 00
Object dump complete.
15:02:56 (9388): wrapper (7.9.26016): starting
15:02:56 (9388): 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\13\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
15:43:33 (9388): C:/Windows/system32/cmd.exe exited; CPU time 2342.515625
15:43:33 (9388): 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: 50577709 bytes.
Dumping objects ->
{1557} normal block at 0x0000028A8B4C3AB0, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1546} normal block at 0x0000028A8B4C3A40, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1535} normal block at 0x0000028A8B4C40D0, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{1524} normal block at 0x0000028A8B4C4140, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1513} normal block at 0x0000028A8B4C3FF0, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{1482} normal block at 0x0000028A8B4AC7E0, 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) : {1469} normal block at 0x0000028A8B4C6270, 8 bytes long.
Data: < > 00 00 FD 8C 8A 02 00 00
{307} normal block at 0x0000028A8B4C5870, 8 bytes long.
Data: <pjL > 70 6A 4C 8B 8A 02 00 00
{298} normal block at 0x0000028A8B4B6370, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{297} normal block at 0x0000028A8B4C5820, 16 bytes long.
Data: <xiL > 78 69 4C 8B 8A 02 00 00 00 00 00 00 00 00 00 00
{296} normal block at 0x0000028A8B4C5CD0, 16 bytes long.
Data: <PiL > 50 69 4C 8B 8A 02 00 00 00 00 00 00 00 00 00 00
{295} normal block at 0x0000028A8B4BEAB0, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{294} normal block at 0x0000028A8B4C59B0, 16 bytes long.
Data: <(iL > 28 69 4C 8B 8A 02 00 00 00 00 00 00 00 00 00 00
{293} normal block at 0x0000028A8B4C58C0, 16 bytes long.
Data: < iL > 00 69 4C 8B 8A 02 00 00 00 00 00 00 00 00 00 00
{292} normal block at 0x0000028A8B4C5C80, 16 bytes long.
Data: < hL > D8 68 4C 8B 8A 02 00 00 00 00 00 00 00 00 00 00
{291} normal block at 0x0000028A8B4C5D20, 16 bytes long.
Data: < hL > B0 68 4C 8B 8A 02 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x0000028A8B4C3C00, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{289} normal block at 0x0000028A8B4C5730, 16 bytes long.
Data: < J > 18 B6 4A 8B 8A 02 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x0000028A8B4BEDB0, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{287} normal block at 0x0000028A8B4C5FA0, 16 bytes long.
Data: < J > F0 B5 4A 8B 8A 02 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x0000028A8B4C5F50, 16 bytes long.
Data: < J > C8 B5 4A 8B 8A 02 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x0000028A8B4C5780, 16 bytes long.
Data: < J > A0 B5 4A 8B 8A 02 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x0000028A8B4C6400, 16 bytes long.
Data: <x J > 78 B5 4A 8B 8A 02 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x0000028A8B4C5BE0, 16 bytes long.
Data: <P J > 50 B5 4A 8B 8A 02 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x0000028A8B4C5F00, 16 bytes long.
Data: <( J > 28 B5 4A 8B 8A 02 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x0000028A8B4BF050, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{279} normal block at 0x0000028A8B4C5EB0, 16 bytes long.
Data: < J > 00 B5 4A 8B 8A 02 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x0000028A8B4AB500, 320 bytes long.
Data: < ^L P K > B0 5E 4C 8B 8A 02 00 00 50 F0 4B 8B 8A 02 00 00
{277} normal block at 0x0000028A8B4C57D0, 16 bytes long.
Data: < hL > 90 68 4C 8B 8A 02 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x0000028A8B4C5AF0, 16 bytes long.
Data: <hhL > 68 68 4C 8B 8A 02 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x0000028A8B4BF410, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{274} normal block at 0x0000028A8B4C5690, 16 bytes long.
Data: <@hL > 40 68 4C 8B 8A 02 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x0000028A8B4BF710, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{272} normal block at 0x0000028A8B4C5A50, 16 bytes long.
Data: < gL > 88 67 4C 8B 8A 02 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x0000028A8B4C6180, 16 bytes long.
Data: <`gL > 60 67 4C 8B 8A 02 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x0000028A8B4C63B0, 16 bytes long.
Data: <8gL > 38 67 4C 8B 8A 02 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x0000028A8B4C64F0, 16 bytes long.
Data: < gL > 10 67 4C 8B 8A 02 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x0000028A8B4C5E60, 16 bytes long.
Data: < fL > E8 66 4C 8B 8A 02 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x0000028A8B4C5A00, 16 bytes long.
Data: < fL > C0 66 4C 8B 8A 02 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x0000028A8B4C5DC0, 16 bytes long.
Data: < ?L > 80 3F 4C 8B 8A 02 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x0000028A8B4C3F80, 40 bytes long.
Data: < ]L J > C0 5D 4C 8B 8A 02 00 00 E0 C7 4A 8B 8A 02 00 00
{263} normal block at 0x0000028A8B4C6130, 16 bytes long.
Data: < fL > A0 66 4C 8B 8A 02 00 00 00 00 00 00 00 00 00 00
{262} normal block at 0x0000028A8B4C6310, 16 bytes long.
Data: <xfL > 78 66 4C 8B 8A 02 00 00 00 00 00 00 00 00 00 00
{261} normal block at 0x0000028A8B4BF6B0, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{260} normal block at 0x0000028A8B4C5C30, 16 bytes long.
Data: <PfL > 50 66 4C 8B 8A 02 00 00 00 00 00 00 00 00 00 00
{259} normal block at 0x0000028A8B4C6650, 992 bytes long.
Data: <0\L K > 30 5C 4C 8B 8A 02 00 00 B0 F6 4B 8B 8A 02 00 00
{95} normal block at 0x0000028A8B4BF590, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{94} normal block at 0x0000028A8B4BD290, 16 bytes long.
Data: <`@L > 60 40 4C 8B 8A 02 00 00 00 00 00 00 00 00 00 00
{93} normal block at 0x0000028A8B4C4060, 40 bytes long.
Data: < K K > 90 D2 4B 8B 8A 02 00 00 90 F5 4B 8B 8A 02 00 00
{72} normal block at 0x0000028A8B4BD920, 16 bytes long.
Data: < | > 80 EA 1E 7C F7 7F 00 00 00 00 00 00 00 00 00 00
{71} normal block at 0x0000028A8B4BDCE0, 16 bytes long.
Data: <@ | > 40 E9 1E 7C F7 7F 00 00 00 00 00 00 00 00 00 00
{70} normal block at 0x0000028A8B4BD1A0, 16 bytes long.
Data: < W | > F8 57 1B 7C F7 7F 00 00 00 00 00 00 00 00 00 00
{69} normal block at 0x0000028A8B4BD5B0, 16 bytes long.
Data: < W | > D8 57 1B 7C F7 7F 00 00 00 00 00 00 00 00 00 00
{68} normal block at 0x0000028A8B4BDAB0, 16 bytes long.
Data: <P | > 50 04 1B 7C F7 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x0000028A8B4BDBF0, 16 bytes long.
Data: <0 | > 30 04 1B 7C F7 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x0000028A8B4BD790, 16 bytes long.
Data: < | > E0 02 1B 7C F7 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x0000028A8B4BD510, 16 bytes long.
Data: < | > 10 04 1B 7C F7 7F 00 00 00 00 00 00 00 00 00 00
{64} normal block at 0x0000028A8B4BD470, 16 bytes long.
Data: <p | > 70 04 1B 7C F7 7F 00 00 00 00 00 00 00 00 00 00
{63} normal block at 0x0000028A8B4BD740, 16 bytes long.
Data: < | > 18 C0 19 7C F7 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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