Task 38687653
| Name | test_681-GPUGRID_TEST_ATM_40STEP_20261023-28-40-RND5758_0 |
| Workunit | 31629036 |
| Created | 28 Oct 2026, 8:59:27 UTC |
| Sent | 28 Oct 2026, 8:59:38 UTC |
| Report deadline | 2 Nov 2026, 8:59:38 UTC |
| Received | 28 Oct 2026, 9:42:40 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 646098 |
| Run time | 42 min 16 sec |
| CPU time | 38 min 47 sec |
| Validate state | Valid |
| Credit | 60,000.00 |
| Device peak FLOPS | 21,607.46 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 729.46 MB |
| Peak swap size | 8.47 GB |
| Peak disk usage | 3.03 GB |
Stderr output
<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
03:01:10 (40968): wrapper (7.9.26016): starting
03:01:10 (40968): 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
03:01:11 (40968): Library/usr/bin/tar.exe exited; CPU time 0.015625
03:01:11 (40968): 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\19\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\19\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
03:42:03 (40968): C:/Windows/system32/cmd.exe exited; CPU time 2327.093750
03:42:03 (40968): 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: 58185143 bytes.
Dumping objects ->
{3835483} normal block at 0x000001D0932BB3C0, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835472} normal block at 0x000001D0932948D0, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835461} normal block at 0x000001D0932946A0, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{3835450} normal block at 0x000001D093294630, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835439} normal block at 0x000001D0932945C0, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{3835408} normal block at 0x000001D09514BFB0, 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) : {3835395} normal block at 0x000001D0932908D0, 8 bytes long.
Data: < }“Ð > 00 00 7D 93 D0 01 00 00
{3833957} normal block at 0x000001D093290600, 8 bytes long.
Data: <ð)"•Ð > F0 29 22 95 D0 01 00 00
..\zip\boinc_zip.cpp(122) : {310} normal block at 0x000001D093285B80, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{295} normal block at 0x000001D093286820, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{294} normal block at 0x000001D093295930, 16 bytes long.
Data: <ø^)“Ð > F8 5E 29 93 D0 01 00 00 00 00 00 00 00 00 00 00
{293} normal block at 0x000001D093295160, 16 bytes long.
Data: <Ð^)“Ð > D0 5E 29 93 D0 01 00 00 00 00 00 00 00 00 00 00
{292} normal block at 0x000001D09328F110, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{291} normal block at 0x000001D093294E40, 16 bytes long.
Data: <¨^)“Ð > A8 5E 29 93 D0 01 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x000001D093295340, 16 bytes long.
Data: < ^)“Ð > 80 5E 29 93 D0 01 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x000001D093294DF0, 16 bytes long.
Data: <X^)“Ð > 58 5E 29 93 D0 01 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x000001D093294DA0, 16 bytes long.
Data: <0^)“Ð > 30 5E 29 93 D0 01 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x000001D093294940, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{286} normal block at 0x000001D0932954D0, 16 bytes long.
Data: < þ'“Ð > 18 FE 27 93 D0 01 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x000001D09328F8F0, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{284} normal block at 0x000001D093295610, 16 bytes long.
Data: <ðý'“Ð > F0 FD 27 93 D0 01 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x000001D093295430, 16 bytes long.
Data: <Èý'“Ð > C8 FD 27 93 D0 01 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x000001D093295110, 16 bytes long.
Data: < ý'“Ð > A0 FD 27 93 D0 01 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x000001D093294CB0, 16 bytes long.
Data: <xý'“Ð > 78 FD 27 93 D0 01 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x000001D0932950C0, 16 bytes long.
Data: <Pý'“Ð > 50 FD 27 93 D0 01 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x000001D093295070, 16 bytes long.
Data: <(ý'“Ð > 28 FD 27 93 D0 01 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x000001D09328F350, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{276} normal block at 0x000001D0932956B0, 16 bytes long.
Data: < ý'“Ð > 00 FD 27 93 D0 01 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x000001D09327FD00, 320 bytes long.
Data: <°V)“Ð Pó(“Ð > B0 56 29 93 D0 01 00 00 50 F3 28 93 D0 01 00 00
{274} normal block at 0x000001D093295660, 16 bytes long.
Data: < ^)“Ð > 10 5E 29 93 D0 01 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x000001D093295750, 16 bytes long.
Data: <è])“Ð > E8 5D 29 93 D0 01 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x000001D09328F830, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{271} normal block at 0x000001D093295A20, 16 bytes long.
Data: <À])“Ð > C0 5D 29 93 D0 01 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x000001D09328F4D0, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{269} normal block at 0x000001D0932952A0, 16 bytes long.
Data: < ])“Ð > 08 5D 29 93 D0 01 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x000001D093295B10, 16 bytes long.
Data: <à\)“Ð > E0 5C 29 93 D0 01 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x000001D093294D50, 16 bytes long.
Data: <¸\)“Ð > B8 5C 29 93 D0 01 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x000001D093295020, 16 bytes long.
Data: < \)“Ð > 90 5C 29 93 D0 01 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x000001D093295250, 16 bytes long.
Data: <h\)“Ð > 68 5C 29 93 D0 01 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x000001D093295890, 16 bytes long.
Data: <@\)“Ð > 40 5C 29 93 D0 01 00 00 00 00 00 00 00 00 00 00
{262} normal block at 0x000001D093295A70, 16 bytes long.
Data: <ðG)“Ð > F0 47 29 93 D0 01 00 00 00 00 00 00 00 00 00 00
{261} normal block at 0x000001D0932947F0, 40 bytes long.
Data: <pZ)“Ð °¿ •Ð > 70 5A 29 93 D0 01 00 00 B0 BF 14 95 D0 01 00 00
{260} normal block at 0x000001D093294C60, 16 bytes long.
Data: < \)“Ð > 20 5C 29 93 D0 01 00 00 00 00 00 00 00 00 00 00
{259} normal block at 0x000001D093294F80, 16 bytes long.
Data: <ø[)“Ð > F8 5B 29 93 D0 01 00 00 00 00 00 00 00 00 00 00
{258} normal block at 0x000001D09328F170, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{257} normal block at 0x000001D093295700, 16 bytes long.
Data: <Ð[)“Ð > D0 5B 29 93 D0 01 00 00 00 00 00 00 00 00 00 00
{256} normal block at 0x000001D093295BD0, 992 bytes long.
Data: < W)“Ð pñ(“Ð > 00 57 29 93 D0 01 00 00 70 F1 28 93 D0 01 00 00
{92} normal block at 0x000001D09328FC50, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{91} normal block at 0x000001D093290CE0, 16 bytes long.
Data: < Å'“Ð > 10 C5 27 93 D0 01 00 00 00 00 00 00 00 00 00 00
{90} normal block at 0x000001D09327C510, 40 bytes long.
Data: <à )“Ð Pü(“Ð > E0 0C 29 93 D0 01 00 00 50 FC 28 93 D0 01 00 00
{69} normal block at 0x000001D093290FB0, 16 bytes long.
Data: < ê­`ö > 80 EA AD 60 F6 7F 00 00 00 00 00 00 00 00 00 00
{68} normal block at 0x000001D093290F60, 16 bytes long.
Data: <@é­`ö > 40 E9 AD 60 F6 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x000001D0932905B0, 16 bytes long.
Data: <øWª`ö > F8 57 AA 60 F6 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x000001D093290E70, 16 bytes long.
Data: <ØWª`ö > D8 57 AA 60 F6 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x000001D093290BA0, 16 bytes long.
Data: <P ª`ö > 50 04 AA 60 F6 7F 00 00 00 00 00 00 00 00 00 00
{64} normal block at 0x000001D093290BF0, 16 bytes long.
Data: <0 ª`ö > 30 04 AA 60 F6 7F 00 00 00 00 00 00 00 00 00 00
{63} normal block at 0x000001D093290C90, 16 bytes long.
Data: <à ª`ö > E0 02 AA 60 F6 7F 00 00 00 00 00 00 00 00 00 00
{62} normal block at 0x000001D093290E20, 16 bytes long.
Data: < ª`ö > 10 04 AA 60 F6 7F 00 00 00 00 00 00 00 00 00 00
{61} normal block at 0x000001D093290470, 16 bytes long.
Data: <p ª`ö > 70 04 AA 60 F6 7F 00 00 00 00 00 00 00 00 00 00
{60} normal block at 0x000001D093290880, 16 bytes long.
Data: < À¨`ö > 18 C0 A8 60 F6 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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