Task 38663996
| Name | test_78-GPUGRID_TEST_ATM_40STEP_20261023-8-40-RND3388_1 |
| Workunit | 31607134 |
| Created | 24 Oct 2026, 23:01:51 UTC |
| Sent | 24 Oct 2026, 23:02:09 UTC |
| Report deadline | 29 Oct 2026, 23:02:09 UTC |
| Received | 25 Oct 2026, 23:08:38 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 642945 |
| Run time | 38 min 41 sec |
| CPU time | 36 min 14 sec |
| Validate state | Valid |
| Credit | 60,000.00 |
| Device peak FLOPS | 12,848.68 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 698.71 MB |
| Peak swap size | 5.35 GB |
| Peak disk usage | 4.20 GB |
Stderr output
<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
08:04:10 (21284): wrapper (7.9.26016): starting
08:04:10 (21284): 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
08:04:11 (21284): Library/usr/bin/tar.exe exited; CPU time 0.015625
08:04:11 (21284): 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\9\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\9\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) : {3835275} normal block at 0x000001F55DD6DF20, 8 bytes long.
Data: < 7^ > 00 00 37 5E F5 01 00 00
..\lib\diagnostics_win.cpp(417) : {3834072} normal block at 0x000001F55DD5DDA0, 1080 bytes long.
Data: < > D0 08 01 00 CD CD CD CD D0 01 00 00 00 00 00 00
..\zip\boinc_zip.cpp(122) : {316} normal block at 0x000001F55DD71D00, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
Object dump complete.
19:05:29 (38228): wrapper (7.9.26016): starting
19:05:29 (38228): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
ƒTƒuƒfƒBƒŒƒNƒgƒŠ‚Ü‚½‚̓tƒ@ƒCƒ‹ C:\ProgramData\BOINC\slots\9\tmp ‚ÍŠù‚É‘¶Ý‚µ‚Ü‚·B
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1512} normal block at 0x000002D64E5F5E00, 8 bytes long.
Data: < YN > 00 00 59 4E D6 02 00 00
..\lib\diagnostics_win.cpp(417) : {309} normal block at 0x000002D64E5F70F0, 1080 bytes long.
Data: < T > B4 B1 00 00 CD CD CD CD 54 01 00 00 00 00 00 00
Object dump complete.
08:05:45 (78508): wrapper (7.9.26016): starting
08:05:45 (78508): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
ƒTƒuƒfƒBƒŒƒNƒgƒŠ‚Ü‚½‚̓tƒ@ƒCƒ‹ C:\ProgramData\BOINC\slots\9\tmp ‚ÍŠù‚É‘¶Ý‚µ‚Ü‚·B
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
08:07:55 (78508): C:/Windows/system32/cmd.exe exited; CPU time 83.968750
08:07:55 (78508): 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: 3152268 bytes.
Dumping objects ->
{1600} normal block at 0x00000162796C46D0, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1589} normal block at 0x00000162796C4270, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1578} normal block at 0x00000162796C43C0, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{1567} normal block at 0x00000162796C45F0, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1556} normal block at 0x00000162796C4890, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{1525} normal block at 0x00000162796AF4E0, 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) : {1512} normal block at 0x00000162796C6910, 8 bytes long.
Data: < yb > 00 00 B9 79 62 01 00 00
{310} normal block at 0x00000162796C6A00, 8 bytes long.
Data: < Zlyb > 20 5A 6C 79 62 01 00 00
{301} normal block at 0x00000162796B6F00, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{300} normal block at 0x00000162796C64B0, 16 bytes long.
Data: < rlyb > E8 72 6C 79 62 01 00 00 00 00 00 00 00 00 00 00
{299} normal block at 0x00000162796C6820, 16 bytes long.
Data: < rlyb > C0 72 6C 79 62 01 00 00 00 00 00 00 00 00 00 00
{298} normal block at 0x00000162796BFF90, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{297} normal block at 0x00000162796C6AA0, 16 bytes long.
Data: < rlyb > 98 72 6C 79 62 01 00 00 00 00 00 00 00 00 00 00
{296} normal block at 0x00000162796C6730, 16 bytes long.
Data: <prlyb > 70 72 6C 79 62 01 00 00 00 00 00 00 00 00 00 00
{295} normal block at 0x00000162796C61E0, 16 bytes long.
Data: <Hrlyb > 48 72 6C 79 62 01 00 00 00 00 00 00 00 00 00 00
{294} normal block at 0x00000162796C6E10, 16 bytes long.
Data: < rlyb > 20 72 6C 79 62 01 00 00 00 00 00 00 00 00 00 00
{293} normal block at 0x00000162796C44A0, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{292} normal block at 0x00000162796C6960, 16 bytes long.
Data: <x kyb > 78 98 6B 79 62 01 00 00 00 00 00 00 00 00 00 00
{291} normal block at 0x00000162796BFBD0, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{290} normal block at 0x00000162796C6780, 16 bytes long.
Data: <P kyb > 50 98 6B 79 62 01 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x00000162796C6B40, 16 bytes long.
Data: <( kyb > 28 98 6B 79 62 01 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x00000162796C66E0, 16 bytes long.
Data: < kyb > 00 98 6B 79 62 01 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x00000162796C6690, 16 bytes long.
Data: < kyb > D8 97 6B 79 62 01 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x00000162796C6140, 16 bytes long.
Data: < kyb > B0 97 6B 79 62 01 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x00000162796C6CD0, 16 bytes long.
Data: < kyb > 88 97 6B 79 62 01 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x00000162796BF990, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{282} normal block at 0x00000162796C6640, 16 bytes long.
Data: <` kyb > 60 97 6B 79 62 01 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x00000162796B9760, 320 bytes long.
Data: <@flyb kyb > 40 66 6C 79 62 01 00 00 90 F9 6B 79 62 01 00 00
{280} normal block at 0x00000162796C62D0, 16 bytes long.
Data: < rlyb > 00 72 6C 79 62 01 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x00000162796C6D20, 16 bytes long.
Data: < qlyb > D8 71 6C 79 62 01 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x00000162796BFE10, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{277} normal block at 0x00000162796C6C30, 16 bytes long.
Data: < qlyb > B0 71 6C 79 62 01 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x00000162796C01D0, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{275} normal block at 0x00000162796C60F0, 16 bytes long.
Data: < plyb > F8 70 6C 79 62 01 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x00000162796C65F0, 16 bytes long.
Data: < plyb > D0 70 6C 79 62 01 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x00000162796C65A0, 16 bytes long.
Data: < plyb > A8 70 6C 79 62 01 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x00000162796C6B90, 16 bytes long.
Data: < plyb > 80 70 6C 79 62 01 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x00000162796C6EB0, 16 bytes long.
Data: <Xplyb > 58 70 6C 79 62 01 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x00000162796C6AF0, 16 bytes long.
Data: <0plyb > 30 70 6C 79 62 01 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x00000162796C6500, 16 bytes long.
Data: < Ilyb > 00 49 6C 79 62 01 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x00000162796C4900, 40 bytes long.
Data: < elyb jyb > 00 65 6C 79 62 01 00 00 E0 F4 6A 79 62 01 00 00
{266} normal block at 0x00000162796C6280, 16 bytes long.
Data: < plyb > 10 70 6C 79 62 01 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x00000162796C67D0, 16 bytes long.
Data: < olyb > E8 6F 6C 79 62 01 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x00000162796C0110, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{263} normal block at 0x00000162796C6550, 16 bytes long.
Data: < olyb > C0 6F 6C 79 62 01 00 00 00 00 00 00 00 00 00 00
{262} normal block at 0x00000162796C6FC0, 992 bytes long.
Data: <Pelyb lyb > 50 65 6C 79 62 01 00 00 10 01 6C 79 62 01 00 00
{98} normal block at 0x00000162796BF870, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{97} normal block at 0x00000162796BDB10, 16 bytes long.
Data: < Elyb > 80 45 6C 79 62 01 00 00 00 00 00 00 00 00 00 00
{96} normal block at 0x00000162796C4580, 40 bytes long.
Data: < kyb p kyb > 10 DB 6B 79 62 01 00 00 70 F8 6B 79 62 01 00 00
{73} normal block at 0x00000162796BDAC0, 16 bytes long.
Data: < D > 80 EA 44 8B F7 7F 00 00 00 00 00 00 00 00 00 00
{72} normal block at 0x00000162796BE240, 16 bytes long.
Data: <@ D > 40 E9 44 8B F7 7F 00 00 00 00 00 00 00 00 00 00
{71} normal block at 0x00000162796BE380, 16 bytes long.
Data: < WA > F8 57 41 8B F7 7F 00 00 00 00 00 00 00 00 00 00
{70} normal block at 0x00000162796BE8D0, 16 bytes long.
Data: < WA > D8 57 41 8B F7 7F 00 00 00 00 00 00 00 00 00 00
{69} normal block at 0x00000162796BE010, 16 bytes long.
Data: <P A > 50 04 41 8B F7 7F 00 00 00 00 00 00 00 00 00 00
{68} normal block at 0x00000162796BDED0, 16 bytes long.
Data: <0 A > 30 04 41 8B F7 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x00000162796BDE80, 16 bytes long.
Data: < A > E0 02 41 8B F7 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x00000162796BE4C0, 16 bytes long.
Data: < A > 10 04 41 8B F7 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x00000162796BDBB0, 16 bytes long.
Data: <p A > 70 04 41 8B F7 7F 00 00 00 00 00 00 00 00 00 00
{64} normal block at 0x00000162796BDD90, 16 bytes long.
Data: < ? > 18 C0 3F 8B F7 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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