Task 38646273
| Name | test_389-GPUGRID_TEST_ATM_1000_20261023-0-1-RND7622_0 |
| Workunit | 31591226 |
| Created | 23 Oct 2026, 16:30:27 UTC |
| Sent | 23 Oct 2026, 17:19:57 UTC |
| Report deadline | 28 Oct 2026, 17:19:57 UTC |
| Received | 24 Oct 2026, 3:47:42 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 561090 |
| Run time | 44 min 56 sec |
| CPU time | 44 min 56 sec |
| Validate state | Valid |
| Credit | 1,000.00 |
| Device peak FLOPS | 8,189.73 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 3.77 GB |
| Peak swap size | 3.76 GB |
| Peak disk usage | 2.97 GB |
Stderr output
<core_client_version>8.2.4</core_client_version>
<![CDATA[
<stderr_txt>
16:38:08 (11352): wrapper (7.9.26016): starting
16:38:08 (11352): 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
16:38:10 (11352): Library/usr/bin/tar.exe exited; CPU time 0.000000
16:38:10 (11352): 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\8\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\8\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) : {3835103} normal block at 0x0000014A452D61E0, 8 bytes long.
Data: < (EJ > 00 00 28 45 4A 01 00 00
..\lib\diagnostics_win.cpp(417) : {3833950} normal block at 0x0000014A46D52440, 1080 bytes long.
Data: < ` > B4 60 00 00 CD CD CD CD 0C 02 00 00 00 00 00 00
..\zip\boinc_zip.cpp(122) : {307} normal block at 0x0000014A452E0660, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
Object dump complete.
19:32:36 (28024): wrapper (7.9.26016): starting
19:32:36 (28024): 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\8\tmp already exists.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1453} normal block at 0x000001E29DAC2530, 8 bytes long.
Data: < J > 00 00 4A 9F E2 01 00 00
..\lib\diagnostics_win.cpp(417) : {300} normal block at 0x000001E29DAC4020, 1080 bytes long.
Data: < ( > 08 02 00 00 CD CD CD CD 28 01 00 00 00 00 00 00
Object dump complete.
19:52:40 (21688): wrapper (7.9.26016): starting
19:52:40 (21688): 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\8\tmp already exists.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1453} normal block at 0x0000027ED5D01B00, 8 bytes long.
Data: < ] ~ > 00 00 5D D7 7E 02 00 00
..\lib\diagnostics_win.cpp(417) : {300} normal block at 0x0000027ED5D03C60, 1080 bytes long.
Data: <P& X > 50 26 00 00 CD CD CD CD 58 01 00 00 00 00 00 00
Object dump complete.
22:25:47 (31804): wrapper (7.9.26016): starting
22:25:47 (31804): 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\8\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
22:46:47 (31804): C:/Windows/system32/cmd.exe exited; CPU time 1038.812500
22:46:47 (31804): 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: 22398530 bytes.
Dumping objects ->
{1541} normal block at 0x0000022D8460D2F0, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1530} normal block at 0x0000022D8460D280, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1519} normal block at 0x0000022D8460D670, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{1508} normal block at 0x0000022D8460D210, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1497} normal block at 0x0000022D8460D130, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{1466} normal block at 0x0000022D845F6A30, 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) : {1453} normal block at 0x0000022D84612220, 8 bytes long.
Data: < - > 00 00 F3 85 2D 02 00 00
{301} normal block at 0x0000022D846118C0, 8 bytes long.
Data: < >a - > 00 3E 61 84 2D 02 00 00
{292} normal block at 0x0000022D845FBA50, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{291} normal block at 0x0000022D84612360, 16 bytes long.
Data: < =a - > 08 3D 61 84 2D 02 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x0000022D84611C80, 16 bytes long.
Data: < <a - > E0 3C 61 84 2D 02 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x0000022D8460AD40, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{288} normal block at 0x0000022D84611C30, 16 bytes long.
Data: < <a - > B8 3C 61 84 2D 02 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x0000022D84611F00, 16 bytes long.
Data: < <a - > 90 3C 61 84 2D 02 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x0000022D84611910, 16 bytes long.
Data: <h<a - > 68 3C 61 84 2D 02 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x0000022D84611EB0, 16 bytes long.
Data: <@<a - > 40 3C 61 84 2D 02 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x0000022D8460D360, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{283} normal block at 0x0000022D84611B90, 16 bytes long.
Data: < c_ - > A8 63 5F 84 2D 02 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x0000022D8460B9A0, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{281} normal block at 0x0000022D84611AA0, 16 bytes long.
Data: < c_ - > 80 63 5F 84 2D 02 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x0000022D84611D70, 16 bytes long.
Data: <Xc_ - > 58 63 5F 84 2D 02 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x0000022D84611DC0, 16 bytes long.
Data: <0c_ - > 30 63 5F 84 2D 02 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x0000022D84611870, 16 bytes long.
Data: < c_ - > 08 63 5F 84 2D 02 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x0000022D84611B40, 16 bytes long.
Data: < b_ - > E0 62 5F 84 2D 02 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x0000022D846121D0, 16 bytes long.
Data: < b_ - > B8 62 5F 84 2D 02 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x0000022D8460B820, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{273} normal block at 0x0000022D84611690, 16 bytes long.
Data: < b_ - > 90 62 5F 84 2D 02 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x0000022D845F6290, 320 bytes long.
Data: < a - ` - > 90 16 61 84 2D 02 00 00 20 B8 60 84 2D 02 00 00
{271} normal block at 0x0000022D846115F0, 16 bytes long.
Data: < <a - > 20 3C 61 84 2D 02 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x0000022D84611820, 16 bytes long.
Data: < ;a - > F8 3B 61 84 2D 02 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x0000022D8460AB00, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{268} normal block at 0x0000022D846115A0, 16 bytes long.
Data: < ;a - > D0 3B 61 84 2D 02 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x0000022D8460B520, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{266} normal block at 0x0000022D84611500, 16 bytes long.
Data: < ;a - > 18 3B 61 84 2D 02 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x0000022D846123B0, 16 bytes long.
Data: < :a - > F0 3A 61 84 2D 02 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x0000022D84611780, 16 bytes long.
Data: < :a - > C8 3A 61 84 2D 02 00 00 00 00 00 00 00 00 00 00
{263} normal block at 0x0000022D846122C0, 16 bytes long.
Data: < :a - > A0 3A 61 84 2D 02 00 00 00 00 00 00 00 00 00 00
{262} normal block at 0x0000022D84611A50, 16 bytes long.
Data: <x:a - > 78 3A 61 84 2D 02 00 00 00 00 00 00 00 00 00 00
{261} normal block at 0x0000022D846117D0, 16 bytes long.
Data: <P:a - > 50 3A 61 84 2D 02 00 00 00 00 00 00 00 00 00 00
{259} normal block at 0x0000022D84612090, 16 bytes long.
Data: <P ` - > 50 D0 60 84 2D 02 00 00 00 00 00 00 00 00 00 00
{258} normal block at 0x0000022D8460D050, 40 bytes long.
Data: < a - 0j_ - > 90 20 61 84 2D 02 00 00 30 6A 5F 84 2D 02 00 00
{257} normal block at 0x0000022D846120E0, 16 bytes long.
Data: <0:a - > 30 3A 61 84 2D 02 00 00 00 00 00 00 00 00 00 00
{256} normal block at 0x0000022D84611550, 16 bytes long.
Data: < :a - > 08 3A 61 84 2D 02 00 00 00 00 00 00 00 00 00 00
{255} normal block at 0x0000022D8460B8E0, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{254} normal block at 0x0000022D84611640, 16 bytes long.
Data: < 9a - > E0 39 61 84 2D 02 00 00 00 00 00 00 00 00 00 00
{253} normal block at 0x0000022D846139E0, 992 bytes long.
Data: <@ a - ` - > 40 16 61 84 2D 02 00 00 E0 B8 60 84 2D 02 00 00
{89} normal block at 0x0000022D8460BA00, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{88} normal block at 0x0000022D84605FF0, 16 bytes long.
Data: < ` - > E0 D6 60 84 2D 02 00 00 00 00 00 00 00 00 00 00
{87} normal block at 0x0000022D8460D6E0, 40 bytes long.
Data: < _` - ` - > F0 5F 60 84 2D 02 00 00 00 BA 60 84 2D 02 00 00
{66} normal block at 0x0000022D84606590, 16 bytes long.
Data: < > 80 EA CC D0 F6 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x0000022D846067C0, 16 bytes long.
Data: <@ > 40 E9 CC D0 F6 7F 00 00 00 00 00 00 00 00 00 00
{64} normal block at 0x0000022D846061D0, 16 bytes long.
Data: < W > F8 57 C9 D0 F6 7F 00 00 00 00 00 00 00 00 00 00
{63} normal block at 0x0000022D84606A90, 16 bytes long.
Data: < W > D8 57 C9 D0 F6 7F 00 00 00 00 00 00 00 00 00 00
{62} normal block at 0x0000022D84605FA0, 16 bytes long.
Data: <P > 50 04 C9 D0 F6 7F 00 00 00 00 00 00 00 00 00 00
{61} normal block at 0x0000022D846069F0, 16 bytes long.
Data: <0 > 30 04 C9 D0 F6 7F 00 00 00 00 00 00 00 00 00 00
{60} normal block at 0x0000022D84606540, 16 bytes long.
Data: < > E0 02 C9 D0 F6 7F 00 00 00 00 00 00 00 00 00 00
{59} normal block at 0x0000022D84605D70, 16 bytes long.
Data: < > 10 04 C9 D0 F6 7F 00 00 00 00 00 00 00 00 00 00
{58} normal block at 0x0000022D84606CC0, 16 bytes long.
Data: <p > 70 04 C9 D0 F6 7F 00 00 00 00 00 00 00 00 00 00
{57} normal block at 0x0000022D84606220, 16 bytes long.
Data: < > 18 C0 C7 D0 F6 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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