Task 38681700
| Name | test_210-GPUGRID_TEST_ATM_40STEP_20261023-26-40-RND6959_1 |
| Workunit | 31623228 |
| Created | 27 Oct 2026, 5:01:05 UTC |
| Sent | 27 Oct 2026, 5:01:08 UTC |
| Report deadline | 1 Nov 2026, 5:01:08 UTC |
| Received | 27 Oct 2026, 9:55:31 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 654840 |
| Run time | 1 hours 58 min 1 sec |
| CPU time | 1 hours 36 min 13 sec |
| Validate state | Valid |
| Credit | 60,000.00 |
| Device peak FLOPS | 6,029.85 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 747.49 MB |
| Peak swap size | 8.39 GB |
| Peak disk usage | 3.11 GB |
Stderr output
<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
03:00:40 (87712): wrapper (7.9.26016): starting
03:00:40 (87712): 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
03:00:41 (87712): Library/usr/bin/tar.exe exited; CPU time 0.031250
03:00:41 (87712): 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
04:55:04 (87712): C:/Windows/system32/cmd.exe exited; CPU time 5773.609375
04:55:04 (87712): 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: 255020123 bytes.
Dumping objects ->
{3835485} normal block at 0x000001E0C9594250, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835474} normal block at 0x000001E0C95941E0, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835463} normal block at 0x000001E0C9593D10, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{3835452} normal block at 0x000001E0C9594170, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835441} normal block at 0x000001E0C9593C30, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{3835410} normal block at 0x000001E0CB8EDB60, 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) : {3835397} normal block at 0x000001E0C9589D50, 8 bytes long.
Data: < ƒÉà > 00 00 83 C9 E0 01 00 00
{3833949} normal block at 0x000001E0C9589850, 8 bytes long.
Data: <PÉ[Éà > 50 C9 5B C9 E0 01 00 00
..\zip\boinc_zip.cpp(122) : {306} normal block at 0x000001E0C95852C0, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{291} normal block at 0x000001E0C958E7C0, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{290} normal block at 0x000001E0C9594990, 16 bytes long.
Data: <(WYÉà > 28 57 59 C9 E0 01 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x000001E0C9594490, 16 bytes long.
Data: < WYÉà > 00 57 59 C9 E0 01 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x000001E0C9590100, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{287} normal block at 0x000001E0C9595390, 16 bytes long.
Data: <ØVYÉà > D8 56 59 C9 E0 01 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x000001E0C9595340, 16 bytes long.
Data: <°VYÉà > B0 56 59 C9 E0 01 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x000001E0C95952F0, 16 bytes long.
Data: < VYÉà > 88 56 59 C9 E0 01 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x000001E0C95952A0, 16 bytes long.
Data: <`VYÉà > 60 56 59 C9 E0 01 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x000001E0C9593ED0, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{282} normal block at 0x000001E0C9594AD0, 16 bytes long.
Data: <xôWÉà > 78 F4 57 C9 E0 01 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x000001E0C9590460, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{280} normal block at 0x000001E0C9594440, 16 bytes long.
Data: <PôWÉà > 50 F4 57 C9 E0 01 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x000001E0C9594EE0, 16 bytes long.
Data: <(ôWÉà > 28 F4 57 C9 E0 01 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x000001E0C9594670, 16 bytes long.
Data: < ôWÉà > 00 F4 57 C9 E0 01 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x000001E0C9594F30, 16 bytes long.
Data: <ØóWÉà > D8 F3 57 C9 E0 01 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x000001E0C9594620, 16 bytes long.
Data: <°óWÉà > B0 F3 57 C9 E0 01 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x000001E0C9594FD0, 16 bytes long.
Data: < óWÉà > 88 F3 57 C9 E0 01 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x000001E0C958FF80, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{272} normal block at 0x000001E0C9595250, 16 bytes long.
Data: <`óWÉà > 60 F3 57 C9 E0 01 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x000001E0C957F360, 320 bytes long.
Data: <PRYÉà ÿXÉà > 50 52 59 C9 E0 01 00 00 80 FF 58 C9 E0 01 00 00
{270} normal block at 0x000001E0C9594A80, 16 bytes long.
Data: <@VYÉà > 40 56 59 C9 E0 01 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x000001E0C95945D0, 16 bytes long.
Data: < VYÉà > 18 56 59 C9 E0 01 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x000001E0C9590400, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{267} normal block at 0x000001E0C9595200, 16 bytes long.
Data: <ðUYÉà > F0 55 59 C9 E0 01 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x000001E0C958FC20, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{265} normal block at 0x000001E0C9594E40, 16 bytes long.
Data: <8UYÉà > 38 55 59 C9 E0 01 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x000001E0C9594580, 16 bytes long.
Data: < UYÉà > 10 55 59 C9 E0 01 00 00 00 00 00 00 00 00 00 00
{263} normal block at 0x000001E0C9594D00, 16 bytes long.
Data: <èTYÉà > E8 54 59 C9 E0 01 00 00 00 00 00 00 00 00 00 00
{262} normal block at 0x000001E0C9594C10, 16 bytes long.
Data: <ÀTYÉà > C0 54 59 C9 E0 01 00 00 00 00 00 00 00 00 00 00
{261} normal block at 0x000001E0C9594BC0, 16 bytes long.
Data: < TYÉà > 98 54 59 C9 E0 01 00 00 00 00 00 00 00 00 00 00
{260} normal block at 0x000001E0C9594C60, 16 bytes long.
Data: <pTYÉà > 70 54 59 C9 E0 01 00 00 00 00 00 00 00 00 00 00
{258} normal block at 0x000001E0C95951B0, 16 bytes long.
Data: < <YÉà > A0 3C 59 C9 E0 01 00 00 00 00 00 00 00 00 00 00
{257} normal block at 0x000001E0C9593CA0, 40 bytes long.
Data: <°QYÉà `ÛŽËà > B0 51 59 C9 E0 01 00 00 60 DB 8E CB E0 01 00 00
{256} normal block at 0x000001E0C9595160, 16 bytes long.
Data: <PTYÉà > 50 54 59 C9 E0 01 00 00 00 00 00 00 00 00 00 00
{255} normal block at 0x000001E0C9595110, 16 bytes long.
Data: <(TYÉà > 28 54 59 C9 E0 01 00 00 00 00 00 00 00 00 00 00
{254} normal block at 0x000001E0C958F740, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{253} normal block at 0x000001E0C9594710, 16 bytes long.
Data: < TYÉà > 00 54 59 C9 E0 01 00 00 00 00 00 00 00 00 00 00
{252} normal block at 0x000001E0C9595400, 992 bytes long.
Data: < GYÉà @÷XÉà > 10 47 59 C9 E0 01 00 00 40 F7 58 C9 E0 01 00 00
{88} normal block at 0x000001E0C958FBC0, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{87} normal block at 0x000001E0C95892B0, 16 bytes long.
Data: < ØWÉà > 80 D8 57 C9 E0 01 00 00 00 00 00 00 00 00 00 00
{86} normal block at 0x000001E0C957D880, 40 bytes long.
Data: <°’XÉà ÀûXÉà > B0 92 58 C9 E0 01 00 00 C0 FB 58 C9 E0 01 00 00
{65} normal block at 0x000001E0C9589120, 16 bytes long.
Data: < êU ö > 80 EA 55 99 F6 7F 00 00 00 00 00 00 00 00 00 00
{64} normal block at 0x000001E0C9589A80, 16 bytes long.
Data: <@éU ö > 40 E9 55 99 F6 7F 00 00 00 00 00 00 00 00 00 00
{63} normal block at 0x000001E0C95897B0, 16 bytes long.
Data: <øWR ö > F8 57 52 99 F6 7F 00 00 00 00 00 00 00 00 00 00
{62} normal block at 0x000001E0C9589D00, 16 bytes long.
Data: <ØWR ö > D8 57 52 99 F6 7F 00 00 00 00 00 00 00 00 00 00
{61} normal block at 0x000001E0C9589580, 16 bytes long.
Data: <P R ö > 50 04 52 99 F6 7F 00 00 00 00 00 00 00 00 00 00
{60} normal block at 0x000001E0C9589030, 16 bytes long.
Data: <0 R ö > 30 04 52 99 F6 7F 00 00 00 00 00 00 00 00 00 00
{59} normal block at 0x000001E0C9589C10, 16 bytes long.
Data: <à R ö > E0 02 52 99 F6 7F 00 00 00 00 00 00 00 00 00 00
{58} normal block at 0x000001E0C9589CB0, 16 bytes long.
Data: < R ö > 10 04 52 99 F6 7F 00 00 00 00 00 00 00 00 00 00
{57} normal block at 0x000001E0C9589300, 16 bytes long.
Data: <p R ö > 70 04 52 99 F6 7F 00 00 00 00 00 00 00 00 00 00
{56} normal block at 0x000001E0C9589940, 16 bytes long.
Data: < ÀP ö > 18 C0 50 99 F6 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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