Task 38688068
| Name | test_923-GPUGRID_TEST_ATM_40STEP_20261023-18-40-RND5800_0 |
| Workunit | 31629437 |
| Created | 28 Oct 2026, 11:25:33 UTC |
| Sent | 28 Oct 2026, 11:25:41 UTC |
| Report deadline | 2 Nov 2026, 11:25:41 UTC |
| Received | 28 Oct 2026, 12:16:59 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 606178 |
| Run time | 33 min 10 sec |
| CPU time | 31 min 29 sec |
| Validate state | Valid |
| Credit | 60,000.00 |
| Device peak FLOPS | 16,200.74 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 709.14 MB |
| Peak swap size | 6.88 GB |
| Peak disk usage | 3.03 GB |
Stderr output
<core_client_version>8.2.13</core_client_version>
<![CDATA[
<stderr_txt>
12:26:55 (31208): wrapper (7.9.26016): starting
12:26:55 (31208): 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
12:26:56 (31208): Library/usr/bin/tar.exe exited; CPU time 0.000000
12:26:56 (31208): 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\4\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\4\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) : {3835174} normal block at 0x0000027D3B8CFDF0, 8 bytes long.
Data: < ;} > 00 00 CB 3B 7D 02 00 00
..\lib\diagnostics_win.cpp(417) : {3833966} normal block at 0x0000027D3D5C7840, 1080 bytes long.
Data: <H{ | > 48 7B 00 00 CD CD CD CD 7C 01 00 00 00 00 00 00
..\zip\boinc_zip.cpp(122) : {315} normal block at 0x0000027D3B8D29A0, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
Object dump complete.
13:04:30 (15888): wrapper (7.9.26016): starting
13:04:30 (15888): 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\4\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
13:16:06 (15888): C:/Windows/system32/cmd.exe exited; CPU time 676.765625
13:16:06 (15888): 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: 15689156 bytes.
Dumping objects ->
{1604} normal block at 0x000001B3CBA75DC0, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1593} normal block at 0x000001B3CBA75960, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1582} normal block at 0x000001B3CBA758F0, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{1571} normal block at 0x000001B3CBA75880, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1560} normal block at 0x000001B3CBA75F80, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{1529} normal block at 0x000001B3CBA6A900, 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) : {1516} normal block at 0x000001B3CBA77890, 8 bytes long.
Data: < > 00 00 A1 CB B3 01 00 00
{309} normal block at 0x000001B3CBA78330, 8 bytes long.
Data: < > B0 88 A7 CB B3 01 00 00
{300} normal block at 0x000001B3CBA67A10, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{299} normal block at 0x000001B3CBA77F20, 16 bytes long.
Data: < > B8 87 A7 CB B3 01 00 00 00 00 00 00 00 00 00 00
{298} normal block at 0x000001B3CBA77D90, 16 bytes long.
Data: < > 90 87 A7 CB B3 01 00 00 00 00 00 00 00 00 00 00
{297} normal block at 0x000001B3CBA72350, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{296} normal block at 0x000001B3CBA783D0, 16 bytes long.
Data: <h > 68 87 A7 CB B3 01 00 00 00 00 00 00 00 00 00 00
{295} normal block at 0x000001B3CBA782E0, 16 bytes long.
Data: <@ > 40 87 A7 CB B3 01 00 00 00 00 00 00 00 00 00 00
{294} normal block at 0x000001B3CBA77980, 16 bytes long.
Data: < > 18 87 A7 CB B3 01 00 00 00 00 00 00 00 00 00 00
{293} normal block at 0x000001B3CBA78240, 16 bytes long.
Data: < > F0 86 A7 CB B3 01 00 00 00 00 00 00 00 00 00 00
{292} normal block at 0x000001B3CBA75D50, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{291} normal block at 0x000001B3CBA77840, 16 bytes long.
Data: < > 98 04 A6 CB B3 01 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x000001B3CBA726B0, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{289} normal block at 0x000001B3CBA78420, 16 bytes long.
Data: <p > 70 04 A6 CB B3 01 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x000001B3CBA78010, 16 bytes long.
Data: <H > 48 04 A6 CB B3 01 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x000001B3CBA77750, 16 bytes long.
Data: < > 20 04 A6 CB B3 01 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x000001B3CBA775C0, 16 bytes long.
Data: < > F8 03 A6 CB B3 01 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x000001B3CBA774D0, 16 bytes long.
Data: < > D0 03 A6 CB B3 01 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x000001B3CBA77E80, 16 bytes long.
Data: < > A8 03 A6 CB B3 01 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x000001B3CBA71F30, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{281} normal block at 0x000001B3CBA77CF0, 16 bytes long.
Data: < > 80 03 A6 CB B3 01 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x000001B3CBA60380, 320 bytes long.
Data: < | 0 > F0 7C A7 CB B3 01 00 00 30 1F A7 CB B3 01 00 00
{279} normal block at 0x000001B3CBA77930, 16 bytes long.
Data: < > D0 86 A7 CB B3 01 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x000001B3CBA78380, 16 bytes long.
Data: < > A8 86 A7 CB B3 01 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x000001B3CBA71C30, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{276} normal block at 0x000001B3CBA780B0, 16 bytes long.
Data: < > 80 86 A7 CB B3 01 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x000001B3CBA71BD0, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{274} normal block at 0x000001B3CBA776B0, 16 bytes long.
Data: < > C8 85 A7 CB B3 01 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x000001B3CBA78290, 16 bytes long.
Data: < > A0 85 A7 CB B3 01 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x000001B3CBA77F70, 16 bytes long.
Data: <x > 78 85 A7 CB B3 01 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x000001B3CBA77FC0, 16 bytes long.
Data: <P > 50 85 A7 CB B3 01 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x000001B3CBA77570, 16 bytes long.
Data: <( > 28 85 A7 CB B3 01 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x000001B3CBA78150, 16 bytes long.
Data: < > 00 85 A7 CB B3 01 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x000001B3CBA77A70, 16 bytes long.
Data: < \ > E0 5C A7 CB B3 01 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x000001B3CBA75CE0, 40 bytes long.
Data: <pz > 70 7A A7 CB B3 01 00 00 00 A9 A6 CB B3 01 00 00
{265} normal block at 0x000001B3CBA777A0, 16 bytes long.
Data: < > E0 84 A7 CB B3 01 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x000001B3CBA77660, 16 bytes long.
Data: < > B8 84 A7 CB B3 01 00 00 00 00 00 00 00 00 00 00
{263} normal block at 0x000001B3CBA72230, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{262} normal block at 0x000001B3CBA777F0, 16 bytes long.
Data: < > 90 84 A7 CB B3 01 00 00 00 00 00 00 00 00 00 00
{261} normal block at 0x000001B3CBA78490, 992 bytes long.
Data: < w 0" > F0 77 A7 CB B3 01 00 00 30 22 A7 CB B3 01 00 00
{97} normal block at 0x000001B3CBA72590, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{96} normal block at 0x000001B3CBA6F5D0, 16 bytes long.
Data: <@Z > 40 5A A7 CB B3 01 00 00 00 00 00 00 00 00 00 00
{95} normal block at 0x000001B3CBA75A40, 40 bytes long.
Data: < % > D0 F5 A6 CB B3 01 00 00 90 25 A7 CB B3 01 00 00
{74} normal block at 0x000001B3CBA6FA30, 16 bytes long.
Data: < & > 80 EA 26 C1 F7 7F 00 00 00 00 00 00 00 00 00 00
{73} normal block at 0x000001B3CBA6FEE0, 16 bytes long.
Data: <@ & > 40 E9 26 C1 F7 7F 00 00 00 00 00 00 00 00 00 00
{72} normal block at 0x000001B3CBA70020, 16 bytes long.
Data: < W# > F8 57 23 C1 F7 7F 00 00 00 00 00 00 00 00 00 00
{71} normal block at 0x000001B3CBA6FE40, 16 bytes long.
Data: < W# > D8 57 23 C1 F7 7F 00 00 00 00 00 00 00 00 00 00
{70} normal block at 0x000001B3CBA6F710, 16 bytes long.
Data: <P # > 50 04 23 C1 F7 7F 00 00 00 00 00 00 00 00 00 00
{69} normal block at 0x000001B3CBA6F620, 16 bytes long.
Data: <0 # > 30 04 23 C1 F7 7F 00 00 00 00 00 00 00 00 00 00
{68} normal block at 0x000001B3CBA6F530, 16 bytes long.
Data: < # > E0 02 23 C1 F7 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x000001B3CBA6F800, 16 bytes long.
Data: < # > 10 04 23 C1 F7 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x000001B3CBA6FDF0, 16 bytes long.
Data: <p # > 70 04 23 C1 F7 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x000001B3CBA6FC60, 16 bytes long.
Data: < ! > 18 C0 21 C1 F7 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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