Task 38687622
| Name | test_187-GPUGRID_TEST_ATM_40STEP_20261023-4-40-RND2606_0 |
| Workunit | 31629006 |
| Created | 28 Oct 2026, 8:48:55 UTC |
| Sent | 28 Oct 2026, 8:49:01 UTC |
| Report deadline | 2 Nov 2026, 8:49:01 UTC |
| Received | 28 Oct 2026, 16:33:21 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 641542 |
| Run time | 1 hours 15 min 20 sec |
| CPU time | 1 hours 12 min 50 sec |
| Validate state | Valid |
| Credit | 60,000.00 |
| Device peak FLOPS | 13,827.62 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 709.92 MB |
| Peak swap size | 6.87 GB |
| Peak disk usage | 3.03 GB |
Stderr output
<core_client_version>8.2.8</core_client_version>
<![CDATA[
<stderr_txt>
08:50:50 (19464): wrapper (7.9.26016): starting
08:50:50 (19464): 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
08:50:52 (19464): Library/usr/bin/tar.exe exited; CPU time 0.000000
08:50:52 (19464): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
'DOSKEY' is not recognized as an internal or external command,
operable program or batch file.
WARNING: The script pyaml.exe is installed in 'C:\ProgramData\BOINC\slots\3\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\3\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) : {3835455} normal block at 0x000001B31A33FAB0, 8 bytes long.
Data: < > 00 00 87 1A B3 01 00 00
..\lib\diagnostics_win.cpp(417) : {3833970} normal block at 0x000001B31BF8DFC0, 1080 bytes long.
Data: < I T > 14 49 00 00 CD CD CD CD 54 02 00 00 00 00 00 00
..\zip\boinc_zip.cpp(122) : {317} normal block at 0x000001B31A341D30, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
Object dump complete.
15:30:57 (2996): wrapper (7.9.26016): starting
15:30:57 (2996): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
'DOSKEY' is not recognized as an internal or external command,
operable program or batch file.
A subdirectory or file C:\ProgramData\BOINC\slots\3\tmp already exists.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1795} normal block at 0x000001DD65F96130, 8 bytes long.
Data: < g > 00 00 9C 67 DD 01 00 00
..\lib\diagnostics_win.cpp(417) : {310} normal block at 0x000001DD65F972E0, 1080 bytes long.
Data: < 9 L > 90 39 00 00 CD CD CD CD 4C 01 00 00 00 00 00 00
Object dump complete.
16:19:37 (11260): wrapper (7.9.26016): starting
16:19:37 (11260): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
'DOSKEY' is not recognized as an internal or external command,
operable program or batch file.
A subdirectory or file C:\ProgramData\BOINC\slots\3\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
16:32:56 (11260): C:/Windows/system32/cmd.exe exited; CPU time 761.906250
16:32:56 (11260): 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: 13241388 bytes.
Dumping objects ->
{1883} normal block at 0x000002075A7F5690, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1872} normal block at 0x000002075A7F5460, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1861} normal block at 0x000002075A7F51C0, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{1850} normal block at 0x000002075A7F5620, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1839} normal block at 0x000002075A7F5380, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{1808} normal block at 0x000002075A7DF860, 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) : {1795} normal block at 0x000002075A7F68C0, 8 bytes long.
Data: < Z > 00 00 C3 5A 07 02 00 00
{311} normal block at 0x000002075A7F6500, 8 bytes long.
Data: < q Z > B0 71 7F 5A 07 02 00 00
{302} normal block at 0x000002075A7E6A20, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{301} normal block at 0x000002075A7F6AF0, 16 bytes long.
Data: < p Z > B8 70 7F 5A 07 02 00 00 00 00 00 00 00 00 00 00
{300} normal block at 0x000002075A7F6870, 16 bytes long.
Data: < p Z > 90 70 7F 5A 07 02 00 00 00 00 00 00 00 00 00 00
{299} normal block at 0x000002075A7EFF10, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{298} normal block at 0x000002075A7F60F0, 16 bytes long.
Data: <hp Z > 68 70 7F 5A 07 02 00 00 00 00 00 00 00 00 00 00
{297} normal block at 0x000002075A7F6730, 16 bytes long.
Data: <@p Z > 40 70 7F 5A 07 02 00 00 00 00 00 00 00 00 00 00
{296} normal block at 0x000002075A7F6320, 16 bytes long.
Data: < p Z > 18 70 7F 5A 07 02 00 00 00 00 00 00 00 00 00 00
{295} normal block at 0x000002075A7F6960, 16 bytes long.
Data: < o Z > F0 6F 7F 5A 07 02 00 00 00 00 00 00 00 00 00 00
{294} normal block at 0x000002075A7F5310, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{293} normal block at 0x000002075A7F6460, 16 bytes long.
Data: <8 }Z > 38 EE 7D 5A 07 02 00 00 00 00 00 00 00 00 00 00
{292} normal block at 0x000002075A7EFBB0, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{291} normal block at 0x000002075A7F6640, 16 bytes long.
Data: < }Z > 10 EE 7D 5A 07 02 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x000002075A7F6190, 16 bytes long.
Data: < }Z > E8 ED 7D 5A 07 02 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x000002075A7F6410, 16 bytes long.
Data: < }Z > C0 ED 7D 5A 07 02 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x000002075A7F6820, 16 bytes long.
Data: < }Z > 98 ED 7D 5A 07 02 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x000002075A7F63C0, 16 bytes long.
Data: <p }Z > 70 ED 7D 5A 07 02 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x000002075A7F5E70, 16 bytes long.
Data: <H }Z > 48 ED 7D 5A 07 02 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x000002075A7EFA90, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{283} normal block at 0x000002075A7F6AA0, 16 bytes long.
Data: < }Z > 20 ED 7D 5A 07 02 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x000002075A7DED20, 320 bytes long.
Data: < j Z ~Z > A0 6A 7F 5A 07 02 00 00 90 FA 7E 5A 07 02 00 00
{281} normal block at 0x000002075A7F5F10, 16 bytes long.
Data: < o Z > D0 6F 7F 5A 07 02 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x000002075A7F61E0, 16 bytes long.
Data: < o Z > A8 6F 7F 5A 07 02 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x000002075A7F0090, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{278} normal block at 0x000002075A7F64B0, 16 bytes long.
Data: < o Z > 80 6F 7F 5A 07 02 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x000002075A7EFA30, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{276} normal block at 0x000002075A7F65F0, 16 bytes long.
Data: < n Z > C8 6E 7F 5A 07 02 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x000002075A7F62D0, 16 bytes long.
Data: < n Z > A0 6E 7F 5A 07 02 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x000002075A7F6000, 16 bytes long.
Data: <xn Z > 78 6E 7F 5A 07 02 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x000002075A7F66E0, 16 bytes long.
Data: <Pn Z > 50 6E 7F 5A 07 02 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x000002075A7F6280, 16 bytes long.
Data: <(n Z > 28 6E 7F 5A 07 02 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x000002075A7F6050, 16 bytes long.
Data: < n Z > 00 6E 7F 5A 07 02 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x000002075A7F6690, 16 bytes long.
Data: <@U Z > 40 55 7F 5A 07 02 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x000002075A7F5540, 40 bytes long.
Data: < f Z ` }Z > 90 66 7F 5A 07 02 00 00 60 F8 7D 5A 07 02 00 00
{267} normal block at 0x000002075A7F60A0, 16 bytes long.
Data: < m Z > E0 6D 7F 5A 07 02 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x000002075A7F6C80, 16 bytes long.
Data: < m Z > B8 6D 7F 5A 07 02 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x000002075A7EFB50, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{264} normal block at 0x000002075A7F65A0, 16 bytes long.
Data: < m Z > 90 6D 7F 5A 07 02 00 00 00 00 00 00 00 00 00 00
{263} normal block at 0x000002075A7F6D90, 992 bytes long.
Data: < e Z P ~Z > A0 65 7F 5A 07 02 00 00 50 FB 7E 5A 07 02 00 00
{99} normal block at 0x000002075A7EFFD0, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{98} normal block at 0x000002075A7EDF90, 16 bytes long.
Data: < }Z > C0 C6 7D 5A 07 02 00 00 00 00 00 00 00 00 00 00
{97} normal block at 0x000002075A7DC6C0, 40 bytes long.
Data: < ~Z ~Z > 90 DF 7E 5A 07 02 00 00 D0 FF 7E 5A 07 02 00 00
{76} normal block at 0x000002075A7EDA40, 16 bytes long.
Data: < 4 > 80 EA 93 34 F7 7F 00 00 00 00 00 00 00 00 00 00
{75} normal block at 0x000002075A7EE170, 16 bytes long.
Data: <@ 4 > 40 E9 93 34 F7 7F 00 00 00 00 00 00 00 00 00 00
{74} normal block at 0x000002075A7EE2B0, 16 bytes long.
Data: < W 4 > F8 57 90 34 F7 7F 00 00 00 00 00 00 00 00 00 00
{73} normal block at 0x000002075A7EDE50, 16 bytes long.
Data: < W 4 > D8 57 90 34 F7 7F 00 00 00 00 00 00 00 00 00 00
{72} normal block at 0x000002075A7EDF40, 16 bytes long.
Data: <P 4 > 50 04 90 34 F7 7F 00 00 00 00 00 00 00 00 00 00
{71} normal block at 0x000002075A7EE670, 16 bytes long.
Data: <0 4 > 30 04 90 34 F7 7F 00 00 00 00 00 00 00 00 00 00
{70} normal block at 0x000002075A7EDD10, 16 bytes long.
Data: < 4 > E0 02 90 34 F7 7F 00 00 00 00 00 00 00 00 00 00
{69} normal block at 0x000002075A7EE4E0, 16 bytes long.
Data: < 4 > 10 04 90 34 F7 7F 00 00 00 00 00 00 00 00 00 00
{68} normal block at 0x000002075A7EE1C0, 16 bytes long.
Data: <p 4 > 70 04 90 34 F7 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x000002075A7EDE00, 16 bytes long.
Data: < 4 > 18 C0 8E 34 F7 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
©2026 Universitat Pompeu Fabra