Task 38653514
| Name | test_472-GPUGRID_TEST_ATM_40STEP_20261023-3-40-RND8894_0 |
| Workunit | 31597461 |
| Created | 24 Oct 2026, 5:44:36 UTC |
| Sent | 24 Oct 2026, 6:07:06 UTC |
| Report deadline | 29 Oct 2026, 6:07:06 UTC |
| Received | 24 Oct 2026, 14:12:27 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 653921 |
| Run time | 1 hours 21 min 38 sec |
| CPU time | 1 hours 21 min 38 sec |
| Validate state | Valid |
| Credit | 60,000.00 |
| Device peak FLOPS | 9,101.86 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 675.11 MB |
| Peak swap size | 6.82 GB |
| Peak disk usage | 4.20 GB |
Stderr output
<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
17:31:56 (28340): wrapper (7.9.26016): starting
17:31:56 (28340): 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
17:31:59 (28340): Library/usr/bin/tar.exe exited; CPU time 0.031250
17:31:59 (28340): 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
19:11:22 (28340): C:/Windows/system32/cmd.exe exited; CPU time 4898.125000
19:11:22 (28340): 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: 126861079 bytes.
Dumping objects ->
{3835177} normal block at 0x0000016E5E65AC10, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835166} normal block at 0x0000016E5E65A740, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835155} normal block at 0x0000016E5E65ADD0, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{3835144} normal block at 0x0000016E5E65A580, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835133} normal block at 0x0000016E5E65ACF0, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{3835102} normal block at 0x0000016E60285130, 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) : {3835089} normal block at 0x0000016E5E637DE0, 8 bytes long.
Data: < ^^n > 00 00 5E 5E 6E 01 00 00
{3833949} normal block at 0x0000016E5E637AC0, 8 bytes long.
Data: <pV(`n > 70 56 28 60 6E 01 00 00
..\zip\boinc_zip.cpp(122) : {306} normal block at 0x0000016E5E635940, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{291} normal block at 0x0000016E5E615610, 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 0x0000016E5E637570, 16 bytes long.
Data: <Ønc^n > D8 6E 63 5E 6E 01 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x0000016E5E637C50, 16 bytes long.
Data: <°nc^n > B0 6E 63 5E 6E 01 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x0000016E5E62A500, 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 0x0000016E5E637CA0, 16 bytes long.
Data: < nc^n > 88 6E 63 5E 6E 01 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x0000016E5E633A80, 16 bytes long.
Data: <`nc^n > 60 6E 63 5E 6E 01 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x0000016E5E633A30, 16 bytes long.
Data: <8nc^n > 38 6E 63 5E 6E 01 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x0000016E5E6338F0, 16 bytes long.
Data: < nc^n > 10 6E 63 5E 6E 01 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x0000016E5E631D60, 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 0x0000016E5E6339E0, 16 bytes long.
Data: < Áa^n > 18 C1 61 5E 6E 01 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x0000016E5E629D20, 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 0x0000016E5E633990, 16 bytes long.
Data: <ðÀa^n > F0 C0 61 5E 6E 01 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x0000016E5E6338A0, 16 bytes long.
Data: <ÈÀa^n > C8 C0 61 5E 6E 01 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x0000016E5E633850, 16 bytes long.
Data: < Àa^n > A0 C0 61 5E 6E 01 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x0000016E5E6337B0, 16 bytes long.
Data: <xÀa^n > 78 C0 61 5E 6E 01 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x0000016E5E633300, 16 bytes long.
Data: <PÀa^n > 50 C0 61 5E 6E 01 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x0000016E5E633080, 16 bytes long.
Data: <(Àa^n > 28 C0 61 5E 6E 01 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x0000016E5E62A1A0, 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 0x0000016E5E633030, 16 bytes long.
Data: < Àa^n > 00 C0 61 5E 6E 01 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x0000016E5E61C000, 320 bytes long.
Data: <00c^n  ¡b^n > 30 30 63 5E 6E 01 00 00 A0 A1 62 5E 6E 01 00 00
{270} normal block at 0x0000016E5E633CB0, 16 bytes long.
Data: <ðmc^n > F0 6D 63 5E 6E 01 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x0000016E5E633620, 16 bytes long.
Data: <Èmc^n > C8 6D 63 5E 6E 01 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x0000016E5E629F60, 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 0x0000016E5E633580, 16 bytes long.
Data: < mc^n > A0 6D 63 5E 6E 01 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x0000016E5E629DE0, 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 0x0000016E5E6332B0, 16 bytes long.
Data: <èlc^n > E8 6C 63 5E 6E 01 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x0000016E5E633260, 16 bytes long.
Data: <Àlc^n > C0 6C 63 5E 6E 01 00 00 00 00 00 00 00 00 00 00
{263} normal block at 0x0000016E5E633210, 16 bytes long.
Data: < lc^n > 98 6C 63 5E 6E 01 00 00 00 00 00 00 00 00 00 00
{262} normal block at 0x0000016E5E6331C0, 16 bytes long.
Data: <plc^n > 70 6C 63 5E 6E 01 00 00 00 00 00 00 00 00 00 00
{261} normal block at 0x0000016E5E633760, 16 bytes long.
Data: <Hlc^n > 48 6C 63 5E 6E 01 00 00 00 00 00 00 00 00 00 00
{260} normal block at 0x0000016E5E633E40, 16 bytes long.
Data: < lc^n > 20 6C 63 5E 6E 01 00 00 00 00 00 00 00 00 00 00
{258} normal block at 0x0000016E5E633710, 16 bytes long.
Data: < c^n > 20 18 63 5E 6E 01 00 00 00 00 00 00 00 00 00 00
{257} normal block at 0x0000016E5E631820, 40 bytes long.
Data: < 7c^n 0Q(`n > 10 37 63 5E 6E 01 00 00 30 51 28 60 6E 01 00 00
{256} normal block at 0x0000016E5E6335D0, 16 bytes long.
Data: < lc^n > 00 6C 63 5E 6E 01 00 00 00 00 00 00 00 00 00 00
{255} normal block at 0x0000016E5E633350, 16 bytes long.
Data: <Økc^n > D8 6B 63 5E 6E 01 00 00 00 00 00 00 00 00 00 00
{254} normal block at 0x0000016E5E62A3E0, 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 0x0000016E5E633670, 16 bytes long.
Data: <°kc^n > B0 6B 63 5E 6E 01 00 00 00 00 00 00 00 00 00 00
{252} normal block at 0x0000016E5E636BB0, 992 bytes long.
Data: <p6c^n à£b^n > 70 36 63 5E 6E 01 00 00 E0 A3 62 5E 6E 01 00 00
{88} normal block at 0x0000016E5E629FC0, 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 0x0000016E5E633800, 16 bytes long.
Data: <à c^n > E0 19 63 5E 6E 01 00 00 00 00 00 00 00 00 00 00
{86} normal block at 0x0000016E5E6319E0, 40 bytes long.
Data: < 8c^n ÀŸb^n > 00 38 63 5E 6E 01 00 00 C0 9F 62 5E 6E 01 00 00
{65} normal block at 0x0000016E5E633940, 16 bytes long.
Data: <€êÓ¨÷ > 80 EA D3 A8 F7 7F 00 00 00 00 00 00 00 00 00 00
{64} normal block at 0x0000016E5E633DA0, 16 bytes long.
Data: <@éÓ¨÷ > 40 E9 D3 A8 F7 7F 00 00 00 00 00 00 00 00 00 00
{63} normal block at 0x0000016E5E633D00, 16 bytes long.
Data: <øWШ÷ > F8 57 D0 A8 F7 7F 00 00 00 00 00 00 00 00 00 00
{62} normal block at 0x0000016E5E632F90, 16 bytes long.
Data: <ØWШ÷ > D8 57 D0 A8 F7 7F 00 00 00 00 00 00 00 00 00 00
{61} normal block at 0x0000016E5E627170, 16 bytes long.
Data: <P Ш÷ > 50 04 D0 A8 F7 7F 00 00 00 00 00 00 00 00 00 00
{60} normal block at 0x0000016E5E627120, 16 bytes long.
Data: <0 Ш÷ > 30 04 D0 A8 F7 7F 00 00 00 00 00 00 00 00 00 00
{59} normal block at 0x0000016E5E627030, 16 bytes long.
Data: <à Ш÷ > E0 02 D0 A8 F7 7F 00 00 00 00 00 00 00 00 00 00
{58} normal block at 0x0000016E5E626F90, 16 bytes long.
Data: < Ш÷ > 10 04 D0 A8 F7 7F 00 00 00 00 00 00 00 00 00 00
{57} normal block at 0x0000016E5E626FE0, 16 bytes long.
Data: <p Ш÷ > 70 04 D0 A8 F7 7F 00 00 00 00 00 00 00 00 00 00
{56} normal block at 0x0000016E5E626F40, 16 bytes long.
Data: < ÀΨ÷ > 18 C0 CE A8 F7 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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