Task 38689113
| Name | test_321-GPUGRID_TEST_ATM_40STEP_20261023-34-40-RND3331_0 |
| Workunit | 31630389 |
| Created | 28 Oct 2026, 18:26:18 UTC |
| Sent | 28 Oct 2026, 18:26:24 UTC |
| Report deadline | 2 Nov 2026, 18:26:24 UTC |
| Received | 1 Nov 2026, 16:53:34 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 581892 |
| Run time | 33 min 48 sec |
| CPU time | 31 min 49 sec |
| Validate state | Valid |
| Credit | 60,000.00 |
| Device peak FLOPS | 21,377.06 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 720.70 MB |
| Peak swap size | 12.93 GB |
| Peak disk usage | 3.03 GB |
Stderr output
<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
19:27:51 (4684): wrapper (7.9.26016): starting
19:27:51 (4684): 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
19:27:53 (4684): Library/usr/bin/tar.exe exited; CPU time 0.000000
19:27:53 (4684): 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 'b:\BoincData\slots\5\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 'b:\BoincData\slots\5\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.
17:37:28 (17636): wrapper (7.9.26016): starting
17:37:28 (17636): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
Ein Unterverzeichnis oder eine Datei mit dem Namen "b:\BoincData\slots\5\tmp" existiert bereits.
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
17:53:16 (17636): C:/Windows/system32/cmd.exe exited; CPU time 935.046875
17:53:16 (17636): called boinc_finish(0)
0 bytes in 0 Free Blocks.
456 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: 14203444 bytes.
Dumping objects ->
{1584} normal block at 0x0000025100815190, 48 bytes long.
Data: <PATH=b:\BoincDat> 50 41 54 48 3D 62 3A 5C 42 6F 69 6E 63 44 61 74
{1573} normal block at 0x000002510080DE70, 32 bytes long.
Data: <HOME=b:\BoincDat> 48 4F 4D 45 3D 62 3A 5C 42 6F 69 6E 63 44 61 74
{1562} normal block at 0x000002510080D7B0, 32 bytes long.
Data: <TMP=b:\BoincData> 54 4D 50 3D 62 3A 5C 42 6F 69 6E 63 44 61 74 61
{1551} normal block at 0x000002510080D750, 32 bytes long.
Data: <TEMP=b:\BoincDat> 54 45 4D 50 3D 62 3A 5C 42 6F 69 6E 63 44 61 74
{1540} normal block at 0x000002510080D570, 32 bytes long.
Data: <TMPDIR=b:\BoincD> 54 4D 50 44 49 52 3D 62 3A 5C 42 6F 69 6E 63 44
{1509} normal block at 0x0000025100814DA0, 48 bytes long.
Data: <PATH=b:\BoincDat> 50 41 54 48 3D 62 3A 5C 42 6F 69 6E 63 44 61 74
{1498} normal block at 0x00000251007FBB00, 140 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) : {1495} normal block at 0x0000025100815880, 8 bytes long.
Data: < Q > 00 00 CC 00 51 02 00 00
{895} normal block at 0x00000251007FD860, 140 bytes long.
Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65
{311} normal block at 0x00000251008161E0, 8 bytes long.
Data: < j Q > 80 6A 81 00 51 02 00 00
{302} normal block at 0x0000025100806950, 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 0x0000025100815CE0, 16 bytes long.
Data: < i Q > 88 69 81 00 51 02 00 00 00 00 00 00 00 00 00 00
{300} normal block at 0x00000251008156F0, 16 bytes long.
Data: <`i Q > 60 69 81 00 51 02 00 00 00 00 00 00 00 00 00 00
{299} normal block at 0x000002510080D1B0, 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 0x00000251008164B0, 16 bytes long.
Data: <8i Q > 38 69 81 00 51 02 00 00 00 00 00 00 00 00 00 00
{297} normal block at 0x0000025100816190, 16 bytes long.
Data: < i Q > 10 69 81 00 51 02 00 00 00 00 00 00 00 00 00 00
{296} normal block at 0x0000025100815BA0, 16 bytes long.
Data: < h Q > E8 68 81 00 51 02 00 00 00 00 00 00 00 00 00 00
{295} normal block at 0x0000025100816460, 16 bytes long.
Data: < h Q > C0 68 81 00 51 02 00 00 00 00 00 00 00 00 00 00
{294} normal block at 0x0000025100814C50, 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 0x0000025100815E70, 16 bytes long.
Data: <h Q > 68 FC 7F 00 51 02 00 00 00 00 00 00 00 00 00 00
{292} normal block at 0x000002510080D150, 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 0x0000025100815B50, 16 bytes long.
Data: <@ Q > 40 FC 7F 00 51 02 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x0000025100815830, 16 bytes long.
Data: < Q > 18 FC 7F 00 51 02 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x0000025100815C90, 16 bytes long.
Data: < Q > F0 FB 7F 00 51 02 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x00000251008163C0, 16 bytes long.
Data: < Q > C8 FB 7F 00 51 02 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x00000251008162D0, 16 bytes long.
Data: < Q > A0 FB 7F 00 51 02 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x0000025100816280, 16 bytes long.
Data: <x Q > 78 FB 7F 00 51 02 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x000002510080D810, 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 0x0000025100815B00, 16 bytes long.
Data: <P Q > 50 FB 7F 00 51 02 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x00000251007FFB50, 320 bytes long.
Data: < [ Q Q > 00 5B 81 00 51 02 00 00 10 D8 80 00 51 02 00 00
{281} normal block at 0x00000251008157E0, 16 bytes long.
Data: < h Q > A0 68 81 00 51 02 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x0000025100815C40, 16 bytes long.
Data: <xh Q > 78 68 81 00 51 02 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x000002510080D690, 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 0x0000025100816410, 16 bytes long.
Data: <Ph Q > 50 68 81 00 51 02 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x000002510080DD50, 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 0x00000251008156A0, 16 bytes long.
Data: < g Q > 98 67 81 00 51 02 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x0000025100815790, 16 bytes long.
Data: <pg Q > 70 67 81 00 51 02 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x0000025100816550, 16 bytes long.
Data: <Hg Q > 48 67 81 00 51 02 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x00000251008165F0, 16 bytes long.
Data: < g Q > 20 67 81 00 51 02 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x0000025100815970, 16 bytes long.
Data: < f Q > F8 66 81 00 51 02 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x0000025100816000, 16 bytes long.
Data: < f Q > D0 66 81 00 51 02 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x0000025100816230, 16 bytes long.
Data: < J Q > 90 4A 81 00 51 02 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x0000025100814A90, 40 bytes long.
Data: <0b Q M Q > 30 62 81 00 51 02 00 00 A0 4D 81 00 51 02 00 00
{267} normal block at 0x0000025100815AB0, 16 bytes long.
Data: < f Q > B0 66 81 00 51 02 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x0000025100816140, 16 bytes long.
Data: < f Q > 88 66 81 00 51 02 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x000002510080DCF0, 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 0x0000025100815A60, 16 bytes long.
Data: <`f Q > 60 66 81 00 51 02 00 00 00 00 00 00 00 00 00 00
{263} normal block at 0x0000025100816660, 992 bytes long.
Data: <`Z Q Q > 60 5A 81 00 51 02 00 00 F0 DC 80 00 51 02 00 00
{99} normal block at 0x000002510080D330, 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 0x000002510080FA50, 16 bytes long.
Data: < K Q > 00 4B 81 00 51 02 00 00 00 00 00 00 00 00 00 00
{97} normal block at 0x0000025100814B00, 40 bytes long.
Data: <P Q 0 Q > 50 FA 80 00 51 02 00 00 30 D3 80 00 51 02 00 00
{76} normal block at 0x000002510080FF50, 16 bytes long.
Data: < . > 80 EA 2E D5 F7 7F 00 00 00 00 00 00 00 00 00 00
{75} normal block at 0x000002510080F2D0, 16 bytes long.
Data: <@ . > 40 E9 2E D5 F7 7F 00 00 00 00 00 00 00 00 00 00
{74} normal block at 0x000002510080F960, 16 bytes long.
Data: < W+ > F8 57 2B D5 F7 7F 00 00 00 00 00 00 00 00 00 00
{73} normal block at 0x000002510080F690, 16 bytes long.
Data: < W+ > D8 57 2B D5 F7 7F 00 00 00 00 00 00 00 00 00 00
{72} normal block at 0x000002510080FBE0, 16 bytes long.
Data: <P + > 50 04 2B D5 F7 7F 00 00 00 00 00 00 00 00 00 00
{71} normal block at 0x000002510080F0A0, 16 bytes long.
Data: <0 + > 30 04 2B D5 F7 7F 00 00 00 00 00 00 00 00 00 00
{70} normal block at 0x000002510080F410, 16 bytes long.
Data: < + > E0 02 2B D5 F7 7F 00 00 00 00 00 00 00 00 00 00
{69} normal block at 0x000002510080FAA0, 16 bytes long.
Data: < + > 10 04 2B D5 F7 7F 00 00 00 00 00 00 00 00 00 00
{68} normal block at 0x000002510080FB90, 16 bytes long.
Data: <p + > 70 04 2B D5 F7 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x000002510080F370, 16 bytes long.
Data: < ) > 18 C0 29 D5 F7 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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