Task 38660871
| Name | test_781-GPUGRID_TEST_ATM_2STEP_20261024-1-2-RND5660_1 |
| Workunit | 31604140 |
| Created | 24 Oct 2026, 14:51:30 UTC |
| Sent | 24 Oct 2026, 14:58:48 UTC |
| Report deadline | 29 Oct 2026, 14:58:48 UTC |
| Received | 24 Oct 2026, 15:39:16 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 618813 |
| Run time | 29 min 32 sec |
| CPU time | 28 min 52 sec |
| Validate state | Valid |
| Credit | 60,000.00 |
| Device peak FLOPS | 86,019.63 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 720.46 MB |
| Peak swap size | 13.19 GB |
| Peak disk usage | 3.60 GB |
Stderr output
<core_client_version>8.2.4</core_client_version>
<![CDATA[
<stderr_txt>
11:10:16 (60156): wrapper (7.9.26016): starting
11:10:16 (60156): 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
11:10:17 (60156): Library/usr/bin/tar.exe exited; CPU time 0.015625
11:10:17 (60156): 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
11:38:56 (60156): C:/Windows/system32/cmd.exe exited; CPU time 1732.359375
11:38:56 (60156): called boinc_finish(0)
0 bytes in 0 Free Blocks.
536 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: 54861799 bytes.
Dumping objects ->
{3835426} normal block at 0x00000245B88F1330, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835415} normal block at 0x00000245B88F0D10, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835404} normal block at 0x00000245B88F0CA0, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{3835393} normal block at 0x00000245B88F1410, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835382} normal block at 0x00000245B88F0FB0, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{3835351} normal block at 0x00000245B6CEFA70, 64 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835340} normal block at 0x00000245B6D241E0, 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) : {3835337} normal block at 0x00000245B6CBD220, 8 bytes long.
Data: < ǶE > 00 00 C7 B6 45 02 00 00
{3834683} normal block at 0x00000245B6D246C0, 140 bytes long.
Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65
{3834035} normal block at 0x00000245B6CBDB80, 8 bytes long.
Data: <Ð,϶E > D0 2C CF B6 45 02 00 00
..\zip\boinc_zip.cpp(122) : {349} normal block at 0x00000245B6CB4400, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{334} normal block at 0x00000245B6CB53F0, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{333} normal block at 0x00000245B6CCB300, 16 bytes long.
Data: < ̶E > 18 88 CC B6 45 02 00 00 00 00 00 00 00 00 00 00
{332} normal block at 0x00000245B6CCB8A0, 16 bytes long.
Data: <ð‡Ì¶E > F0 87 CC B6 45 02 00 00 00 00 00 00 00 00 00 00
{331} normal block at 0x00000245B6CC5150, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{330} normal block at 0x00000245B6CCB800, 16 bytes long.
Data: <ȇ̶E > C8 87 CC B6 45 02 00 00 00 00 00 00 00 00 00 00
{329} normal block at 0x00000245B6CCB7B0, 16 bytes long.
Data: < ‡Ì¶E > A0 87 CC B6 45 02 00 00 00 00 00 00 00 00 00 00
{328} normal block at 0x00000245B6CCB2B0, 16 bytes long.
Data: <x‡Ì¶E > 78 87 CC B6 45 02 00 00 00 00 00 00 00 00 00 00
{327} normal block at 0x00000245B6CCB170, 16 bytes long.
Data: <P‡Ì¶E > 50 87 CC B6 45 02 00 00 00 00 00 00 00 00 00 00
{326} normal block at 0x00000245B6CC4950, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{325} normal block at 0x00000245B6CCB120, 16 bytes long.
Data: <ØêʶE > D8 EA CA B6 45 02 00 00 00 00 00 00 00 00 00 00
{324} normal block at 0x00000245B6CC59F0, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{323} normal block at 0x00000245B6CCBBC0, 16 bytes long.
Data: <°êʶE > B0 EA CA B6 45 02 00 00 00 00 00 00 00 00 00 00
{321} normal block at 0x00000245B6CCBE40, 16 bytes long.
Data: < êʶE > 88 EA CA B6 45 02 00 00 00 00 00 00 00 00 00 00
{320} normal block at 0x00000245B6CCB0D0, 16 bytes long.
Data: <`êʶE > 60 EA CA B6 45 02 00 00 00 00 00 00 00 00 00 00
{319} normal block at 0x00000245B6CCB9E0, 16 bytes long.
Data: <8êʶE > 38 EA CA B6 45 02 00 00 00 00 00 00 00 00 00 00
{318} normal block at 0x00000245B6CCB5D0, 16 bytes long.
Data: < êʶE > 10 EA CA B6 45 02 00 00 00 00 00 00 00 00 00 00
{317} normal block at 0x00000245B6CCBC60, 16 bytes long.
Data: <èéʶE > E8 E9 CA B6 45 02 00 00 00 00 00 00 00 00 00 00
{316} normal block at 0x00000245B6CC5630, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{315} normal block at 0x00000245B6CCBCB0, 16 bytes long.
Data: <ÀéʶE > C0 E9 CA B6 45 02 00 00 00 00 00 00 00 00 00 00
{314} normal block at 0x00000245B6CAE9C0, 320 bytes long.
Data: <°¼Ì¶E 0V̶E > B0 BC CC B6 45 02 00 00 30 56 CC B6 45 02 00 00
{313} normal block at 0x00000245B6CCB260, 16 bytes long.
Data: <0‡Ì¶E > 30 87 CC B6 45 02 00 00 00 00 00 00 00 00 00 00
{312} normal block at 0x00000245B6CCB4E0, 16 bytes long.
Data: < ‡Ì¶E > 08 87 CC B6 45 02 00 00 00 00 00 00 00 00 00 00
{311} normal block at 0x00000245B6CC5210, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{310} normal block at 0x00000245B6CCBAD0, 16 bytes long.
Data: <à†Ì¶E > E0 86 CC B6 45 02 00 00 00 00 00 00 00 00 00 00
{309} normal block at 0x00000245B6CC5AB0, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{308} normal block at 0x00000245B6CCB760, 16 bytes long.
Data: <(†Ì¶E > 28 86 CC B6 45 02 00 00 00 00 00 00 00 00 00 00
{307} normal block at 0x00000245B6CCB6C0, 16 bytes long.
Data: < †Ì¶E > 00 86 CC B6 45 02 00 00 00 00 00 00 00 00 00 00
{306} normal block at 0x00000245B6CCB210, 16 bytes long.
Data: <؅̶E > D8 85 CC B6 45 02 00 00 00 00 00 00 00 00 00 00
{305} normal block at 0x00000245B6CCBC10, 16 bytes long.
Data: <°…̶E > B0 85 CC B6 45 02 00 00 00 00 00 00 00 00 00 00
{304} normal block at 0x00000245B6CCBF30, 16 bytes long.
Data: < …̶E > 88 85 CC B6 45 02 00 00 00 00 00 00 00 00 00 00
{303} normal block at 0x00000245B6CCBF80, 16 bytes long.
Data: <`…̶E > 60 85 CC B6 45 02 00 00 00 00 00 00 00 00 00 00
{301} normal block at 0x00000245B6CCBB20, 16 bytes long.
Data: <ÐE̶E > D0 45 CC B6 45 02 00 00 00 00 00 00 00 00 00 00
{300} normal block at 0x00000245B6CC45D0, 40 bytes long.
Data: < »Ì¶E púζE > 20 BB CC B6 45 02 00 00 70 FA CE B6 45 02 00 00
{299} normal block at 0x00000245B6CCB670, 16 bytes long.
Data: <@…̶E > 40 85 CC B6 45 02 00 00 00 00 00 00 00 00 00 00
{298} normal block at 0x00000245B6CCC020, 16 bytes long.
Data: < …̶E > 18 85 CC B6 45 02 00 00 00 00 00 00 00 00 00 00
{297} normal block at 0x00000245B6CC57B0, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{296} normal block at 0x00000245B6CCB620, 16 bytes long.
Data: <ð„̶E > F0 84 CC B6 45 02 00 00 00 00 00 00 00 00 00 00
{295} normal block at 0x00000245B6CC84F0, 992 bytes long.
Data: < ¶Ì¶E °W̶E > 20 B6 CC B6 45 02 00 00 B0 57 CC B6 45 02 00 00
{131} normal block at 0x00000245B6CC4D30, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{130} normal block at 0x00000245B6CBD3B0, 16 bytes long.
Data: < C̶E > A0 43 CC B6 45 02 00 00 00 00 00 00 00 00 00 00
{129} normal block at 0x00000245B6CC43A0, 40 bytes long.
Data: <°Ó˶E 0M̶E > B0 D3 CB B6 45 02 00 00 30 4D CC B6 45 02 00 00
{108} normal block at 0x00000245B6CBD810, 16 bytes long.
Data: < ê† ÷ > 80 EA 86 7F F7 7F 00 00 00 00 00 00 00 00 00 00
{107} normal block at 0x00000245B6CBDB30, 16 bytes long.
Data: <@é† ÷ > 40 E9 86 7F F7 7F 00 00 00 00 00 00 00 00 00 00
{106} normal block at 0x00000245B6CBD7C0, 16 bytes long.
Data: <øWƒ ÷ > F8 57 83 7F F7 7F 00 00 00 00 00 00 00 00 00 00
{105} normal block at 0x00000245B6CBD1D0, 16 bytes long.
Data: <ØWƒ ÷ > D8 57 83 7F F7 7F 00 00 00 00 00 00 00 00 00 00
{104} normal block at 0x00000245B6CBDAE0, 16 bytes long.
Data: <P ƒ ÷ > 50 04 83 7F F7 7F 00 00 00 00 00 00 00 00 00 00
{103} normal block at 0x00000245B6CBD040, 16 bytes long.
Data: <0 ƒ ÷ > 30 04 83 7F F7 7F 00 00 00 00 00 00 00 00 00 00
{102} normal block at 0x00000245B6CBD310, 16 bytes long.
Data: <à ƒ ÷ > E0 02 83 7F F7 7F 00 00 00 00 00 00 00 00 00 00
{101} normal block at 0x00000245B6CBD720, 16 bytes long.
Data: < ƒ ÷ > 10 04 83 7F F7 7F 00 00 00 00 00 00 00 00 00 00
{100} normal block at 0x00000245B6CBD2C0, 16 bytes long.
Data: <p ƒ ÷ > 70 04 83 7F F7 7F 00 00 00 00 00 00 00 00 00 00
{99} normal block at 0x00000245B6CBDEA0, 16 bytes long.
Data: < À ÷ > 18 C0 81 7F F7 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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