Task 38666387
| Name | test_685-GPUGRID_TEST_ATM_100SAMPLES_20261025-0-1-RND5161_2 |
| Workunit | 31608692 |
| Created | 25 Oct 2026, 3:02:08 UTC |
| Sent | 25 Oct 2026, 4:33:14 UTC |
| Report deadline | 30 Oct 2026, 4:33:14 UTC |
| Received | 27 Oct 2026, 11:43:54 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 590980 |
| Run time | 1 days 5 hours 21 min 29 sec |
| CPU time | 1 days 3 hours 30 min 24 sec |
| Validate state | Valid |
| Credit | 600,000.00 |
| Device peak FLOPS | 10,947.62 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 733.79 MB |
| Peak swap size | 6.90 GB |
| Peak disk usage | 3.72 GB |
Stderr output
<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
06:34:31 (10216): wrapper (7.9.26016): starting
06:34:31 (10216): 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
06:34:33 (10216): Library/usr/bin/tar.exe exited; CPU time 0.015625
06:34:33 (10216): 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\17\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\17\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.
12:04:31 (25460): wrapper (7.9.26016): starting
12:04:31 (25460): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
Un sous-r‚pertoire ou un fichier C:\ProgramData\BOINC\slots\17\tmp existe d‚j….
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1724} normal block at 0x0000029882779B80, 8 bytes long.
Data: < > 00 00 C3 82 98 02 00 00
..\lib\diagnostics_win.cpp(417) : {309} normal block at 0x000002988277A6A0, 1080 bytes long.
Data: <@ h > 40 1E 00 00 CD CD CD CD 68 01 00 00 00 00 00 00
Object dump complete.
21:58:21 (30140): wrapper (7.9.26016): starting
21:58:21 (30140): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
Un sous-r‚pertoire ou un fichier C:\ProgramData\BOINC\slots\17\tmp existe d‚j….
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
23:31:30 (24088): wrapper (7.9.26016): starting
23:31:30 (24088): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
Un sous-r‚pertoire ou un fichier C:\ProgramData\BOINC\slots\17\tmp existe d‚j….
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
12:43:25 (24088): C:/Windows/system32/cmd.exe exited; CPU time 44120.203125
12:43:25 (24088): called boinc_finish(0)
0 bytes in 0 Free Blocks.
538 bytes in 8 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: 872198725 bytes.
Dumping objects ->
{1813} normal block at 0x00000246297A4D40, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1802} normal block at 0x00000246297A52F0, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1791} normal block at 0x00000246297A4C60, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{1780} normal block at 0x00000246297A50C0, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1769} normal block at 0x00000246297A5210, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{1738} normal block at 0x0000024629790010, 64 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1727} normal block at 0x000002462978F390, 141 bytes long.
Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65
..\api\boinc_api.cpp(309) : {1724} normal block at 0x00000246297A6090, 8 bytes long.
Data: < w)F > 00 00 77 29 46 02 00 00
{1006} normal block at 0x000002462978F2C0, 141 bytes long.
Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65
{310} normal block at 0x00000246297A5D20, 8 bytes long.
Data: < nz)F > 80 6E 7A 29 46 02 00 00
{301} normal block at 0x00000246297974A0, 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 0x00000246297A6040, 16 bytes long.
Data: < mz)F > 88 6D 7A 29 46 02 00 00 00 00 00 00 00 00 00 00
{299} normal block at 0x00000246297A6900, 16 bytes long.
Data: <`mz)F > 60 6D 7A 29 46 02 00 00 00 00 00 00 00 00 00 00
{298} normal block at 0x00000246297A1760, 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 0x00000246297A5CD0, 16 bytes long.
Data: <8mz)F > 38 6D 7A 29 46 02 00 00 00 00 00 00 00 00 00 00
{296} normal block at 0x00000246297A65E0, 16 bytes long.
Data: < mz)F > 10 6D 7A 29 46 02 00 00 00 00 00 00 00 00 00 00
{295} normal block at 0x00000246297A6590, 16 bytes long.
Data: < lz)F > E8 6C 7A 29 46 02 00 00 00 00 00 00 00 00 00 00
{294} normal block at 0x00000246297A6540, 16 bytes long.
Data: < lz)F > C0 6C 7A 29 46 02 00 00 00 00 00 00 00 00 00 00
{293} normal block at 0x00000246297A51A0, 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 0x00000246297A5EB0, 16 bytes long.
Data: <H x)F > 48 CB 78 29 46 02 00 00 00 00 00 00 00 00 00 00
{291} normal block at 0x00000246297A1220, 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 0x00000246297A5F50, 16 bytes long.
Data: < x)F > 20 CB 78 29 46 02 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x00000246297A5FF0, 16 bytes long.
Data: < x)F > F8 CA 78 29 46 02 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x00000246297A68B0, 16 bytes long.
Data: < x)F > D0 CA 78 29 46 02 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x00000246297A64A0, 16 bytes long.
Data: < x)F > A8 CA 78 29 46 02 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x00000246297A6450, 16 bytes long.
Data: < x)F > 80 CA 78 29 46 02 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x00000246297A66D0, 16 bytes long.
Data: <X x)F > 58 CA 78 29 46 02 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x00000246297A19A0, 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 0x00000246297A6810, 16 bytes long.
Data: <0 x)F > 30 CA 78 29 46 02 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x000002462978CA30, 320 bytes long.
Data: < hz)F z)F > 10 68 7A 29 46 02 00 00 A0 19 7A 29 46 02 00 00
{280} normal block at 0x00000246297A67C0, 16 bytes long.
Data: < lz)F > A0 6C 7A 29 46 02 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x00000246297A6770, 16 bytes long.
Data: <xlz)F > 78 6C 7A 29 46 02 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x00000246297A1BE0, 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 0x00000246297A6400, 16 bytes long.
Data: <Plz)F > 50 6C 7A 29 46 02 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x00000246297A1880, 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 0x00000246297A63B0, 16 bytes long.
Data: < kz)F > 98 6B 7A 29 46 02 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x00000246297A6680, 16 bytes long.
Data: <pkz)F > 70 6B 7A 29 46 02 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x00000246297A61D0, 16 bytes long.
Data: <Hkz)F > 48 6B 7A 29 46 02 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x00000246297A69F0, 16 bytes long.
Data: < kz)F > 20 6B 7A 29 46 02 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x00000246297A5AF0, 16 bytes long.
Data: < jz)F > F8 6A 7A 29 46 02 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x00000246297A5FA0, 16 bytes long.
Data: < jz)F > D0 6A 7A 29 46 02 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x00000246297A6220, 16 bytes long.
Data: < Lz)F > D0 4C 7A 29 46 02 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x00000246297A4CD0, 40 bytes long.
Data: < bz)F y)F > 20 62 7A 29 46 02 00 00 10 00 79 29 46 02 00 00
{266} normal block at 0x00000246297A6360, 16 bytes long.
Data: < jz)F > B0 6A 7A 29 46 02 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x00000246297A6310, 16 bytes long.
Data: < jz)F > 88 6A 7A 29 46 02 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x00000246297A1400, 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 0x00000246297A6630, 16 bytes long.
Data: <`jz)F > 60 6A 7A 29 46 02 00 00 00 00 00 00 00 00 00 00
{262} normal block at 0x00000246297A6A60, 992 bytes long.
Data: <0fz)F z)F > 30 66 7A 29 46 02 00 00 00 14 7A 29 46 02 00 00
{98} normal block at 0x00000246297A0F20, 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 0x00000246297A0AF0, 16 bytes long.
Data: < Rz)F > 80 52 7A 29 46 02 00 00 00 00 00 00 00 00 00 00
{96} normal block at 0x00000246297A5280, 40 bytes long.
Data: < z)F z)F > F0 0A 7A 29 46 02 00 00 20 0F 7A 29 46 02 00 00
{75} normal block at 0x00000246297A09B0, 16 bytes long.
Data: < > 80 EA 0B 91 F6 7F 00 00 00 00 00 00 00 00 00 00
{74} normal block at 0x00000246297A0960, 16 bytes long.
Data: <@ > 40 E9 0B 91 F6 7F 00 00 00 00 00 00 00 00 00 00
{73} normal block at 0x00000246297A0AA0, 16 bytes long.
Data: < W > F8 57 08 91 F6 7F 00 00 00 00 00 00 00 00 00 00
{72} normal block at 0x00000246297A0690, 16 bytes long.
Data: < W > D8 57 08 91 F6 7F 00 00 00 00 00 00 00 00 00 00
{71} normal block at 0x00000246297A07D0, 16 bytes long.
Data: <P > 50 04 08 91 F6 7F 00 00 00 00 00 00 00 00 00 00
{70} normal block at 0x00000246297A05F0, 16 bytes long.
Data: <0 > 30 04 08 91 F6 7F 00 00 00 00 00 00 00 00 00 00
{69} normal block at 0x00000246297A08C0, 16 bytes long.
Data: < > E0 02 08 91 F6 7F 00 00 00 00 00 00 00 00 00 00
{68} normal block at 0x00000246297A0500, 16 bytes long.
Data: < > 10 04 08 91 F6 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x00000246297A0BE0, 16 bytes long.
Data: <p > 70 04 08 91 F6 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x000002462979FD30, 16 bytes long.
Data: < > 18 C0 06 91 F6 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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