Task 38654556
| Name | test_186-GPUGRID_TEST_ATM_40STEP_20261023-3-40-RND6840_0 |
| Workunit | 31598368 |
| Created | 24 Oct 2026, 7:31:42 UTC |
| Sent | 24 Oct 2026, 7:31:54 UTC |
| Report deadline | 29 Oct 2026, 7:31:54 UTC |
| Received | 26 Oct 2026, 23:16:30 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 638201 |
| Run time | 41 min 7 sec |
| CPU time | 38 min 33 sec |
| Validate state | Valid |
| Credit | 60,000.00 |
| Device peak FLOPS | 11,615.78 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 724.23 MB |
| Peak swap size | 6.87 GB |
| Peak disk usage | 3.03 GB |
Stderr output
<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
16:36:06 (9100): wrapper (7.9.26016): starting
16:36:06 (9100): 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
16:36:08 (9100): Library/usr/bin/tar.exe exited; CPU time 0.000000
16:36:08 (9100): 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\0\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\0\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.
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
17:15:53 (9100): C:/Windows/system32/cmd.exe exited; CPU time 2313.109375
17:15:53 (9100): 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: 38425595 bytes.
Dumping objects ->
{3835263} normal block at 0x00000207455FD000, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835252} normal block at 0x00000207455FCEB0, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835241} normal block at 0x00000207455FC5F0, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{3835230} normal block at 0x00000207455FCF90, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835219} normal block at 0x00000207455FCC80, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{3835188} normal block at 0x000002074730E590, 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) : {3835175} normal block at 0x00000207455CF290, 8 bytes long.
Data: < ©E > 00 00 A9 45 07 02 00 00
{3833961} normal block at 0x00000207455CF790, 8 bytes long.
Data: < ç G > 00 E7 15 47 07 02 00 00
..\zip\boinc_zip.cpp(122) : {312} normal block at 0x00000207455CCB10, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{297} normal block at 0x00000207455C5E30, 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 0x00000207455D9AF0, 16 bytes long.
Data: <ÈŸ]E > C8 9F 5D 45 07 02 00 00 00 00 00 00 00 00 00 00
{295} normal block at 0x00000207455D9A50, 16 bytes long.
Data: < Ÿ]E > A0 9F 5D 45 07 02 00 00 00 00 00 00 00 00 00 00
{294} normal block at 0x00000207455D4F80, 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 0x00000207455D9A00, 16 bytes long.
Data: <xŸ]E > 78 9F 5D 45 07 02 00 00 00 00 00 00 00 00 00 00
{292} normal block at 0x00000207455D9BE0, 16 bytes long.
Data: <PŸ]E > 50 9F 5D 45 07 02 00 00 00 00 00 00 00 00 00 00
{291} normal block at 0x00000207455D8DD0, 16 bytes long.
Data: <(Ÿ]E > 28 9F 5D 45 07 02 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x00000207455D9960, 16 bytes long.
Data: < Ÿ]E > 00 9F 5D 45 07 02 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x00000207455D30A0, 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 0x00000207455D9AA0, 16 bytes long.
Data: <Ø,\E > D8 2C 5C 45 07 02 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x00000207455D4680, 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 0x00000207455D8F10, 16 bytes long.
Data: <°,\E > B0 2C 5C 45 07 02 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x00000207455D97D0, 16 bytes long.
Data: < ,\E > 88 2C 5C 45 07 02 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x00000207455D9910, 16 bytes long.
Data: <`,\E > 60 2C 5C 45 07 02 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x00000207455D8F60, 16 bytes long.
Data: <8,\E > 38 2C 5C 45 07 02 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x00000207455D8EC0, 16 bytes long.
Data: < ,\E > 10 2C 5C 45 07 02 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x00000207455D95A0, 16 bytes long.
Data: <è+\E > E8 2B 5C 45 07 02 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x00000207455D4FE0, 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 0x00000207455D96E0, 16 bytes long.
Data: <À+\E > C0 2B 5C 45 07 02 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x00000207455C2BC0, 320 bytes long.
Data: <à–]E àO]E > E0 96 5D 45 07 02 00 00 E0 4F 5D 45 07 02 00 00
{276} normal block at 0x00000207455D9280, 16 bytes long.
Data: <àž]E > E0 9E 5D 45 07 02 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x00000207455D9870, 16 bytes long.
Data: <¸ž]E > B8 9E 5D 45 07 02 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x00000207455D4B00, 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 0x00000207455D9320, 16 bytes long.
Data: < ž]E > 90 9E 5D 45 07 02 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x00000207455D46E0, 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 0x00000207455D98C0, 16 bytes long.
Data: <Ø ]E > D8 9D 5D 45 07 02 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x00000207455D9640, 16 bytes long.
Data: <° ]E > B0 9D 5D 45 07 02 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x00000207455D99B0, 16 bytes long.
Data: < ]E > 88 9D 5D 45 07 02 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x00000207455D8D30, 16 bytes long.
Data: <` ]E > 60 9D 5D 45 07 02 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x00000207455D8E70, 16 bytes long.
Data: <8 ]E > 38 9D 5D 45 07 02 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x00000207455D9460, 16 bytes long.
Data: < ]E > 10 9D 5D 45 07 02 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x00000207455D9C30, 16 bytes long.
Data: <00]E > 30 30 5D 45 07 02 00 00 00 00 00 00 00 00 00 00
{263} normal block at 0x00000207455D3030, 40 bytes long.
Data: <0œ]E å0G > 30 9C 5D 45 07 02 00 00 90 E5 30 47 07 02 00 00
{262} normal block at 0x00000207455D9B90, 16 bytes long.
Data: <ðœ]E > F0 9C 5D 45 07 02 00 00 00 00 00 00 00 00 00 00
{261} normal block at 0x00000207455D9820, 16 bytes long.
Data: <Ȝ]E > C8 9C 5D 45 07 02 00 00 00 00 00 00 00 00 00 00
{260} normal block at 0x00000207455D4AA0, 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 0x00000207455D91E0, 16 bytes long.
Data: < œ]E > A0 9C 5D 45 07 02 00 00 00 00 00 00 00 00 00 00
{258} normal block at 0x00000207455D9CA0, 992 bytes long.
Data: <à‘]E  J]E > E0 91 5D 45 07 02 00 00 A0 4A 5D 45 07 02 00 00
{94} normal block at 0x00000207455D4980, 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 0x00000207455CEBB0, 16 bytes long.
Data: <P/]E > 50 2F 5D 45 07 02 00 00 00 00 00 00 00 00 00 00
{92} normal block at 0x00000207455D2F50, 40 bytes long.
Data: <°ë\E I]E > B0 EB 5C 45 07 02 00 00 80 49 5D 45 07 02 00 00
{71} normal block at 0x00000207455CF830, 16 bytes long.
Data: < ê¤Å÷ > 80 EA A4 C5 F7 7F 00 00 00 00 00 00 00 00 00 00
{70} normal block at 0x00000207455CF3D0, 16 bytes long.
Data: <@é¤Å÷ > 40 E9 A4 C5 F7 7F 00 00 00 00 00 00 00 00 00 00
{69} normal block at 0x00000207455CF1A0, 16 bytes long.
Data: <øW¡Å÷ > F8 57 A1 C5 F7 7F 00 00 00 00 00 00 00 00 00 00
{68} normal block at 0x00000207455CF970, 16 bytes long.
Data: <ØW¡Å÷ > D8 57 A1 C5 F7 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x00000207455CEED0, 16 bytes long.
Data: <P ¡Å÷ > 50 04 A1 C5 F7 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x00000207455CEC50, 16 bytes long.
Data: <0 ¡Å÷ > 30 04 A1 C5 F7 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x00000207455CF920, 16 bytes long.
Data: <à ¡Å÷ > E0 02 A1 C5 F7 7F 00 00 00 00 00 00 00 00 00 00
{64} normal block at 0x00000207455CF010, 16 bytes long.
Data: < ¡Å÷ > 10 04 A1 C5 F7 7F 00 00 00 00 00 00 00 00 00 00
{63} normal block at 0x00000207455CF740, 16 bytes long.
Data: <p ¡Å÷ > 70 04 A1 C5 F7 7F 00 00 00 00 00 00 00 00 00 00
{62} normal block at 0x00000207455CEC00, 16 bytes long.
Data: < ÀŸÅ÷ > 18 C0 9F C5 F7 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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