Task 38678580
| Name | test_94-GPUGRID_TEST_ATM_40STEP_20261023-13-40-RND4104_0 |
| Workunit | 31620394 |
| Created | 26 Oct 2026, 17:52:59 UTC |
| Sent | 26 Oct 2026, 17:53:09 UTC |
| Report deadline | 31 Oct 2026, 17:53:09 UTC |
| Received | 1 Nov 2026, 19:11:58 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 652968 |
| Run time | 1 hours 22 min 3 sec |
| CPU time | 1 hours 22 min 3 sec |
| Validate state | Task was reported too late to validate |
| Credit | 0.00 |
| Device peak FLOPS | 7,606.81 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 701.18 MB |
| Peak swap size | 5.34 GB |
| Peak disk usage | 3.03 GB |
Stderr output
<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
21:05:25 (16640): wrapper (7.9.26016): starting
21:05:25 (16640): 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
21:36:23 (16640): Library/usr/bin/tar.exe exited; CPU time 0.406250
21:36:24 (16640): 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) : {3835337} normal block at 0x0000020EF236D6E0, 8 bytes long.
Data: < > 00 00 E1 F3 0E 02 00 00
..\lib\diagnostics_win.cpp(417) : {3833960} normal block at 0x0000020EF4134200, 1080 bytes long.
Data: <0 ( > 30 1A 00 00 CD CD CD CD 28 02 00 00 00 00 00 00
..\zip\boinc_zip.cpp(122) : {312} normal block at 0x0000020EF2371270, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
Object dump complete.
19:39:07 (7920): wrapper (7.9.26016): starting
19:39:07 (7920): 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\1\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
20:11:18 (7920): C:/Windows/system32/cmd.exe exited; CPU time 1849.656250
20:11:18 (7920): 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: 32946616 bytes.
Dumping objects ->
{1770} normal block at 0x000002F26F664A80, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1759} normal block at 0x000002F26F665030, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1748} normal block at 0x000002F26F6649A0, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{1737} normal block at 0x000002F26F664E00, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1726} normal block at 0x000002F26F664B60, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{1695} normal block at 0x000002F26F64B6B0, 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) : {1682} normal block at 0x000002F26F665DD0, 8 bytes long.
Data: < o > 00 00 B4 6F F2 02 00 00
{306} normal block at 0x000002F26F666000, 8 bytes long.
Data: < jfo > D0 6A 66 6F F2 02 00 00
{297} normal block at 0x000002F26F656C10, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{296} normal block at 0x000002F26F665FB0, 16 bytes long.
Data: < ifo > D8 69 66 6F F2 02 00 00 00 00 00 00 00 00 00 00
{295} normal block at 0x000002F26F666640, 16 bytes long.
Data: < ifo > B0 69 66 6F F2 02 00 00 00 00 00 00 00 00 00 00
{294} normal block at 0x000002F26F65FB40, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{293} normal block at 0x000002F26F665C40, 16 bytes long.
Data: < ifo > 88 69 66 6F F2 02 00 00 00 00 00 00 00 00 00 00
{292} normal block at 0x000002F26F665D30, 16 bytes long.
Data: <`ifo > 60 69 66 6F F2 02 00 00 00 00 00 00 00 00 00 00
{291} normal block at 0x000002F26F665BF0, 16 bytes long.
Data: <8ifo > 38 69 66 6F F2 02 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x000002F26F6661E0, 16 bytes long.
Data: < ifo > 10 69 66 6F F2 02 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x000002F26F664FC0, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{288} normal block at 0x000002F26F666370, 16 bytes long.
Data: <H do > 48 B6 64 6F F2 02 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x000002F26F65EFA0, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{286} normal block at 0x000002F26F665790, 16 bytes long.
Data: < do > 20 B6 64 6F F2 02 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x000002F26F665BA0, 16 bytes long.
Data: < do > F8 B5 64 6F F2 02 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x000002F26F665D80, 16 bytes long.
Data: < do > D0 B5 64 6F F2 02 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x000002F26F666190, 16 bytes long.
Data: < do > A8 B5 64 6F F2 02 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x000002F26F6656F0, 16 bytes long.
Data: < do > 80 B5 64 6F F2 02 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x000002F26F665B50, 16 bytes long.
Data: <X do > 58 B5 64 6F F2 02 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x000002F26F65EDC0, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{278} normal block at 0x000002F26F6664B0, 16 bytes long.
Data: <0 do > 30 B5 64 6F F2 02 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x000002F26F64B530, 320 bytes long.
Data: < dfo eo > B0 64 66 6F F2 02 00 00 C0 ED 65 6F F2 02 00 00
{276} normal block at 0x000002F26F665B00, 16 bytes long.
Data: < hfo > F0 68 66 6F F2 02 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x000002F26F665A60, 16 bytes long.
Data: < hfo > C8 68 66 6F F2 02 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x000002F26F65F8A0, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{273} normal block at 0x000002F26F6659C0, 16 bytes long.
Data: < hfo > A0 68 66 6F F2 02 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x000002F26F65EE80, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{271} normal block at 0x000002F26F665AB0, 16 bytes long.
Data: < gfo > E8 67 66 6F F2 02 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x000002F26F665A10, 16 bytes long.
Data: < gfo > C0 67 66 6F F2 02 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x000002F26F665970, 16 bytes long.
Data: < gfo > 98 67 66 6F F2 02 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x000002F26F665920, 16 bytes long.
Data: <pgfo > 70 67 66 6F F2 02 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x000002F26F6658D0, 16 bytes long.
Data: <Hgfo > 48 67 66 6F F2 02 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x000002F26F666320, 16 bytes long.
Data: < gfo > 20 67 66 6F F2 02 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x000002F26F6662D0, 16 bytes long.
Data: < Kfo > D0 4B 66 6F F2 02 00 00 00 00 00 00 00 00 00 00
{263} normal block at 0x000002F26F664BD0, 40 bytes long.
Data: < bfo do > D0 62 66 6F F2 02 00 00 B0 B6 64 6F F2 02 00 00
{262} normal block at 0x000002F26F665F60, 16 bytes long.
Data: < gfo > 00 67 66 6F F2 02 00 00 00 00 00 00 00 00 00 00
{261} normal block at 0x000002F26F666280, 16 bytes long.
Data: < ffo > D8 66 66 6F F2 02 00 00 00 00 00 00 00 00 00 00
{260} normal block at 0x000002F26F65F480, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{259} normal block at 0x000002F26F665880, 16 bytes long.
Data: < ffo > B0 66 66 6F F2 02 00 00 00 00 00 00 00 00 00 00
{258} normal block at 0x000002F26F6666B0, 992 bytes long.
Data: < Xfo eo > 80 58 66 6F F2 02 00 00 80 F4 65 6F F2 02 00 00
{94} normal block at 0x000002F26F65F000, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{93} normal block at 0x000002F26F65D340, 16 bytes long.
Data: < Lfo > B0 4C 66 6F F2 02 00 00 00 00 00 00 00 00 00 00
{92} normal block at 0x000002F26F664CB0, 40 bytes long.
Data: <@ eo eo > 40 D3 65 6F F2 02 00 00 00 F0 65 6F F2 02 00 00
{71} normal block at 0x000002F26F65DF20, 16 bytes long.
Data: < 9 > 80 EA 39 F5 F7 7F 00 00 00 00 00 00 00 00 00 00
{70} normal block at 0x000002F26F65D3E0, 16 bytes long.
Data: <@ 9 > 40 E9 39 F5 F7 7F 00 00 00 00 00 00 00 00 00 00
{69} normal block at 0x000002F26F65D480, 16 bytes long.
Data: < W6 > F8 57 36 F5 F7 7F 00 00 00 00 00 00 00 00 00 00
{68} normal block at 0x000002F26F65D390, 16 bytes long.
Data: < W6 > D8 57 36 F5 F7 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x000002F26F65DDE0, 16 bytes long.
Data: <P 6 > 50 04 36 F5 F7 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x000002F26F65D250, 16 bytes long.
Data: <0 6 > 30 04 36 F5 F7 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x000002F26F65D4D0, 16 bytes long.
Data: < 6 > E0 02 36 F5 F7 7F 00 00 00 00 00 00 00 00 00 00
{64} normal block at 0x000002F26F65D2A0, 16 bytes long.
Data: < 6 > 10 04 36 F5 F7 7F 00 00 00 00 00 00 00 00 00 00
{63} normal block at 0x000002F26F65D5C0, 16 bytes long.
Data: <p 6 > 70 04 36 F5 F7 7F 00 00 00 00 00 00 00 00 00 00
{62} normal block at 0x000002F26F65E100, 16 bytes long.
Data: < 4 > 18 C0 34 F5 F7 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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