Task 38673086
| Name | test_408-GPUGRID_TEST_ATM_40STEP_20261023-17-40-RND6092_0 |
| Workunit | 31615191 |
| Created | 26 Oct 2026, 1:25:19 UTC |
| Sent | 26 Oct 2026, 1:25:28 UTC |
| Report deadline | 31 Oct 2026, 1:25:28 UTC |
| Received | 26 Oct 2026, 21:41:55 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 561610 |
| Run time | 43 min 3 sec |
| CPU time | 40 min 42 sec |
| Validate state | Valid |
| Credit | 60,000.00 |
| Device peak FLOPS | 5,156.89 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 661.65 MB |
| Peak swap size | 5.21 GB |
| Peak disk usage | 3.11 GB |
Stderr output
<core_client_version>8.2.9</core_client_version>
<![CDATA[
<stderr_txt>
21:26:56 (283996): wrapper (7.9.26016): starting
21:26:56 (283996): 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
21:26:57 (283996): Library/usr/bin/tar.exe exited; CPU time 0.015625
21:26:57 (283996): 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\1\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\1\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) : {3835124} normal block at 0x0000027B1949E470, 8 bytes long.
Data: < z { > 00 00 7A 19 7B 02 00 00
..\lib\diagnostics_win.cpp(417) : {3833964} normal block at 0x0000027B1B0D5980, 1080 bytes long.
Data: <pp p > 70 70 04 00 CD CD CD CD 70 01 00 00 00 00 00 00
..\zip\boinc_zip.cpp(122) : {314} normal block at 0x0000027B194A1AA0, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
Object dump complete.
17:26:47 (316312): wrapper (7.9.26016): starting
17:26:47 (316312): 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\1\tmp already exists.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1467} normal block at 0x00000254E3026410, 8 bytes long.
Data: < S T > 00 00 53 E3 54 02 00 00
..\lib\diagnostics_win.cpp(417) : {307} normal block at 0x00000254E3027390, 1080 bytes long.
Data: < , > C8 CB 04 00 CD CD CD CD 2C 01 00 00 00 00 00 00
Object dump complete.
17:35:41 (317544): wrapper (7.9.26016): starting
17:35:41 (317544): 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\1\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
17:41:09 (317544): C:/Windows/system32/cmd.exe exited; CPU time 291.656250
17:41:09 (317544): 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: 6801816 bytes.
Dumping objects ->
{1555} normal block at 0x000001F32A804360, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1544} normal block at 0x000001F32A804590, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1533} normal block at 0x000001F32A8049F0, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{1522} normal block at 0x000001F32A8044B0, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1511} normal block at 0x000001F32A8047C0, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{1480} normal block at 0x000001F32A7F97D0, 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) : {1467} normal block at 0x000001F32A8064B0, 8 bytes long.
Data: < y* > 00 00 79 2A F3 01 00 00
{308} normal block at 0x000001F32A8061E0, 8 bytes long.
Data: < s * > 90 73 80 2A F3 01 00 00
{299} normal block at 0x000001F32A7F6AB0, 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 0x000001F32A806870, 16 bytes long.
Data: < r * > 98 72 80 2A F3 01 00 00 00 00 00 00 00 00 00 00
{297} normal block at 0x000001F32A806370, 16 bytes long.
Data: <pr * > 70 72 80 2A F3 01 00 00 00 00 00 00 00 00 00 00
{296} normal block at 0x000001F32A7FFEB0, 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 0x000001F32A806190, 16 bytes long.
Data: <Hr * > 48 72 80 2A F3 01 00 00 00 00 00 00 00 00 00 00
{294} normal block at 0x000001F32A806000, 16 bytes long.
Data: < r * > 20 72 80 2A F3 01 00 00 00 00 00 00 00 00 00 00
{293} normal block at 0x000001F32A806E60, 16 bytes long.
Data: < q * > F8 71 80 2A F3 01 00 00 00 00 00 00 00 00 00 00
{292} normal block at 0x000001F32A806960, 16 bytes long.
Data: < q * > D0 71 80 2A F3 01 00 00 00 00 00 00 00 00 00 00
{291} normal block at 0x000001F32A8046E0, 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 0x000001F32A8060F0, 16 bytes long.
Data: <X ~* > 58 BB 7E 2A F3 01 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x000001F32A800570, 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 0x000001F32A8060A0, 16 bytes long.
Data: <0 ~* > 30 BB 7E 2A F3 01 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x000001F32A806730, 16 bytes long.
Data: < ~* > 08 BB 7E 2A F3 01 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x000001F32A8063C0, 16 bytes long.
Data: < ~* > E0 BA 7E 2A F3 01 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x000001F32A8065F0, 16 bytes long.
Data: < ~* > B8 BA 7E 2A F3 01 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x000001F32A805FB0, 16 bytes long.
Data: < ~* > 90 BA 7E 2A F3 01 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x000001F32A8062D0, 16 bytes long.
Data: <h ~* > 68 BA 7E 2A F3 01 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x000001F32A8000F0, 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 0x000001F32A806280, 16 bytes long.
Data: <@ ~* > 40 BA 7E 2A F3 01 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x000001F32A7EBA40, 320 bytes long.
Data: < b * * > 80 62 80 2A F3 01 00 00 F0 00 80 2A F3 01 00 00
{278} normal block at 0x000001F32A806C30, 16 bytes long.
Data: < q * > B0 71 80 2A F3 01 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x000001F32A806140, 16 bytes long.
Data: < q * > 88 71 80 2A F3 01 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x000001F32A800210, 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 0x000001F32A806F00, 16 bytes long.
Data: <`q * > 60 71 80 2A F3 01 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x000001F32A8002D0, 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 0x000001F32A806B40, 16 bytes long.
Data: < p * > A8 70 80 2A F3 01 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x000001F32A806A00, 16 bytes long.
Data: < p * > 80 70 80 2A F3 01 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x000001F32A806820, 16 bytes long.
Data: <Xp * > 58 70 80 2A F3 01 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x000001F32A806E10, 16 bytes long.
Data: <0p * > 30 70 80 2A F3 01 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x000001F32A806460, 16 bytes long.
Data: < p * > 08 70 80 2A F3 01 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x000001F32A806050, 16 bytes long.
Data: < o * > E0 6F 80 2A F3 01 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x000001F32A806AA0, 16 bytes long.
Data: <@D * > 40 44 80 2A F3 01 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x000001F32A804440, 40 bytes long.
Data: < j * * > A0 6A 80 2A F3 01 00 00 D0 97 7F 2A F3 01 00 00
{264} normal block at 0x000001F32A8067D0, 16 bytes long.
Data: < o * > C0 6F 80 2A F3 01 00 00 00 00 00 00 00 00 00 00
{263} normal block at 0x000001F32A8068C0, 16 bytes long.
Data: < o * > 98 6F 80 2A F3 01 00 00 00 00 00 00 00 00 00 00
{262} normal block at 0x000001F32A7FF9D0, 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 0x000001F32A806320, 16 bytes long.
Data: <po * > 70 6F 80 2A F3 01 00 00 00 00 00 00 00 00 00 00
{260} normal block at 0x000001F32A806F70, 992 bytes long.
Data: < c * * > 20 63 80 2A F3 01 00 00 D0 F9 7F 2A F3 01 00 00
{96} normal block at 0x000001F32A7FFF70, 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 0x000001F32A7FDBB0, 16 bytes long.
Data: < F * > 00 46 80 2A F3 01 00 00 00 00 00 00 00 00 00 00
{94} normal block at 0x000001F32A804600, 40 bytes long.
Data: < * p * > B0 DB 7F 2A F3 01 00 00 70 FF 7F 2A F3 01 00 00
{73} normal block at 0x000001F32A7FDAC0, 16 bytes long.
Data: < $ > 80 EA B1 24 F7 7F 00 00 00 00 00 00 00 00 00 00
{72} normal block at 0x000001F32A7FE100, 16 bytes long.
Data: <@ $ > 40 E9 B1 24 F7 7F 00 00 00 00 00 00 00 00 00 00
{71} normal block at 0x000001F32A7FDDE0, 16 bytes long.
Data: < W $ > F8 57 AE 24 F7 7F 00 00 00 00 00 00 00 00 00 00
{70} normal block at 0x000001F32A7FDD40, 16 bytes long.
Data: < W $ > D8 57 AE 24 F7 7F 00 00 00 00 00 00 00 00 00 00
{69} normal block at 0x000001F32A7FD8E0, 16 bytes long.
Data: <P $ > 50 04 AE 24 F7 7F 00 00 00 00 00 00 00 00 00 00
{68} normal block at 0x000001F32A7FDA70, 16 bytes long.
Data: <0 $ > 30 04 AE 24 F7 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x000001F32A7FE3D0, 16 bytes long.
Data: < $ > E0 02 AE 24 F7 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x000001F32A7FDE30, 16 bytes long.
Data: < $ > 10 04 AE 24 F7 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x000001F32A7FD9D0, 16 bytes long.
Data: <p $ > 70 04 AE 24 F7 7F 00 00 00 00 00 00 00 00 00 00
{64} normal block at 0x000001F32A7FE380, 16 bytes long.
Data: < $ > 18 C0 AC 24 F7 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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