Task 38674471
| Name | test_863-GPUGRID_TEST_ATM_40STEP_20261023-22-40-RND9145_0 |
| Workunit | 31616505 |
| Created | 26 Oct 2026, 5:23:27 UTC |
| Sent | 26 Oct 2026, 5:23:37 UTC |
| Report deadline | 31 Oct 2026, 5:23:37 UTC |
| Received | 26 Oct 2026, 6:54:22 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 642945 |
| Run time | 43 min 59 sec |
| CPU time | 40 min 15 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 | 677.66 MB |
| Peak swap size | 5.36 GB |
| Peak disk usage | 3.03 GB |
Stderr output
<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
14:55:46 (12916): wrapper (7.9.26016): starting
14:55:46 (12916): 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
14:55:47 (12916): Library/usr/bin/tar.exe exited; CPU time 0.015625
14:55:47 (12916): 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 0x000001973F74E060, 8 bytes long.
Data: < ? > 00 00 C8 3F 97 01 00 00
..\lib\diagnostics_win.cpp(417) : {3834072} normal block at 0x000001973F73DDA0, 1080 bytes long.
Data: <d > 64 DF 00 00 CD CD CD CD 80 00 00 00 00 00 00 00
..\zip\boinc_zip.cpp(122) : {316} normal block at 0x000001973F751F80, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
Object dump complete.
15:12:29 (24572): wrapper (7.9.26016): starting
15:12:29 (24572): 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
15:53:35 (24572): C:/Windows/system32/cmd.exe exited; CPU time 2345.265625
15:53:35 (24572): 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: 64868402 bytes.
Dumping objects ->
{1600} normal block at 0x000001B9733B4660, 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 0x000001B9733B45F0, 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 0x000001B9733B4900, 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 0x000001B9733B4510, 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 0x000001B9733B4350, 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 0x000001B97339F4E0, 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 0x000001B9733B64B0, 8 bytes long.
Data: < zs > 00 00 7A 73 B9 01 00 00
{310} normal block at 0x000001B9733B6640, 8 bytes long.
Data: < Z;s > 20 5A 3B 73 B9 01 00 00
{301} normal block at 0x000001B9733A6F90, 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 0x000001B9733B6320, 16 bytes long.
Data: < r;s > E8 72 3B 73 B9 01 00 00 00 00 00 00 00 00 00 00
{299} normal block at 0x000001B9733B6000, 16 bytes long.
Data: < r;s > C0 72 3B 73 B9 01 00 00 00 00 00 00 00 00 00 00
{298} normal block at 0x000001B9733AFDB0, 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 0x000001B9733B6F50, 16 bytes long.
Data: < r;s > 98 72 3B 73 B9 01 00 00 00 00 00 00 00 00 00 00
{296} normal block at 0x000001B9733B61E0, 16 bytes long.
Data: <pr;s > 70 72 3B 73 B9 01 00 00 00 00 00 00 00 00 00 00
{295} normal block at 0x000001B9733B6960, 16 bytes long.
Data: <Hr;s > 48 72 3B 73 B9 01 00 00 00 00 00 00 00 00 00 00
{294} normal block at 0x000001B9733B65A0, 16 bytes long.
Data: < r;s > 20 72 3B 73 B9 01 00 00 00 00 00 00 00 00 00 00
{293} normal block at 0x000001B9733B4740, 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 0x000001B9733B69B0, 16 bytes long.
Data: <x :s > 78 98 3A 73 B9 01 00 00 00 00 00 00 00 00 00 00
{291} normal block at 0x000001B9733AFC30, 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 0x000001B9733B6460, 16 bytes long.
Data: <P :s > 50 98 3A 73 B9 01 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x000001B9733B6730, 16 bytes long.
Data: <( :s > 28 98 3A 73 B9 01 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x000001B9733B63C0, 16 bytes long.
Data: < :s > 00 98 3A 73 B9 01 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x000001B9733B6910, 16 bytes long.
Data: < :s > D8 97 3A 73 B9 01 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x000001B9733B66E0, 16 bytes long.
Data: < :s > B0 97 3A 73 B9 01 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x000001B9733B6820, 16 bytes long.
Data: < :s > 88 97 3A 73 B9 01 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x000001B9733B0590, 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 0x000001B9733B6550, 16 bytes long.
Data: <` :s > 60 97 3A 73 B9 01 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x000001B9733A9760, 320 bytes long.
Data: <Pe;s ;s > 50 65 3B 73 B9 01 00 00 90 05 3B 73 B9 01 00 00
{280} normal block at 0x000001B9733B6410, 16 bytes long.
Data: < r;s > 00 72 3B 73 B9 01 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x000001B9733B6190, 16 bytes long.
Data: < q;s > D8 71 3B 73 B9 01 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x000001B9733B02F0, 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 0x000001B9733B68C0, 16 bytes long.
Data: < q;s > B0 71 3B 73 B9 01 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x000001B9733B05F0, 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 0x000001B9733B6500, 16 bytes long.
Data: < p;s > F8 70 3B 73 B9 01 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x000001B9733B62D0, 16 bytes long.
Data: < p;s > D0 70 3B 73 B9 01 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x000001B9733B6E10, 16 bytes long.
Data: < p;s > A8 70 3B 73 B9 01 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x000001B9733B6140, 16 bytes long.
Data: < p;s > 80 70 3B 73 B9 01 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x000001B9733B60F0, 16 bytes long.
Data: <Xp;s > 58 70 3B 73 B9 01 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x000001B9733B6280, 16 bytes long.
Data: <0p;s > 30 70 3B 73 B9 01 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x000001B9733B6370, 16 bytes long.
Data: < F;s > D0 46 3B 73 B9 01 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x000001B9733B46D0, 40 bytes long.
Data: <pc;s 9s > 70 63 3B 73 B9 01 00 00 E0 F4 39 73 B9 01 00 00
{266} normal block at 0x000001B9733B60A0, 16 bytes long.
Data: < p;s > 10 70 3B 73 B9 01 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x000001B9733B67D0, 16 bytes long.
Data: < o;s > E8 6F 3B 73 B9 01 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x000001B9733B04D0, 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 0x000001B9733B6230, 16 bytes long.
Data: < o;s > C0 6F 3B 73 B9 01 00 00 00 00 00 00 00 00 00 00
{262} normal block at 0x000001B9733B6FC0, 992 bytes long.
Data: <0b;s ;s > 30 62 3B 73 B9 01 00 00 D0 04 3B 73 B9 01 00 00
{98} normal block at 0x000001B9733AFFF0, 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 0x000001B9733AE010, 16 bytes long.
Data: < B;s > 00 42 3B 73 B9 01 00 00 00 00 00 00 00 00 00 00
{96} normal block at 0x000001B9733B4200, 40 bytes long.
Data: < :s :s > 10 E0 3A 73 B9 01 00 00 F0 FF 3A 73 B9 01 00 00
{73} normal block at 0x000001B9733ADE80, 16 bytes long.
Data: < _ > 80 EA 5F 0F F6 7F 00 00 00 00 00 00 00 00 00 00
{72} normal block at 0x000001B9733ADD90, 16 bytes long.
Data: <@ _ > 40 E9 5F 0F F6 7F 00 00 00 00 00 00 00 00 00 00
{71} normal block at 0x000001B9733ADFC0, 16 bytes long.
Data: < W\ > F8 57 5C 0F F6 7F 00 00 00 00 00 00 00 00 00 00
{70} normal block at 0x000001B9733AE100, 16 bytes long.
Data: < W\ > D8 57 5C 0F F6 7F 00 00 00 00 00 00 00 00 00 00
{69} normal block at 0x000001B9733ADD40, 16 bytes long.
Data: <P \ > 50 04 5C 0F F6 7F 00 00 00 00 00 00 00 00 00 00
{68} normal block at 0x000001B9733AE2E0, 16 bytes long.
Data: <0 \ > 30 04 5C 0F F6 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x000001B9733AE0B0, 16 bytes long.
Data: < \ > E0 02 5C 0F F6 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x000001B9733AE1F0, 16 bytes long.
Data: < \ > 10 04 5C 0F F6 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x000001B9733AE790, 16 bytes long.
Data: <p \ > 70 04 5C 0F F6 7F 00 00 00 00 00 00 00 00 00 00
{64} normal block at 0x000001B9733ADF20, 16 bytes long.
Data: < Z > 18 C0 5A 0F F6 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
©2026 Universitat Pompeu Fabra