Task 38679960
| Name | test_446-GPUGRID_TEST_ATM_40STEP_20261023-31-40-RND7786_1 |
| Workunit | 31621664 |
| Created | 26 Oct 2026, 22:19:08 UTC |
| Sent | 26 Oct 2026, 22:19:22 UTC |
| Report deadline | 31 Oct 2026, 22:19:22 UTC |
| Received | 26 Oct 2026, 23:35:30 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 643112 |
| Run time | 59 min |
| CPU time | 56 min 38 sec |
| Validate state | Valid |
| Credit | 60,000.00 |
| Device peak FLOPS | 13,171.24 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 680.62 MB |
| Peak swap size | 14.42 GB |
| Peak disk usage | 3.03 GB |
Stderr output
<core_client_version>8.2.4</core_client_version>
<![CDATA[
<stderr_txt>
01:21:26 (54856): wrapper (7.9.26016): starting
01:21:26 (54856): 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
01:36:11 (54856): Library/usr/bin/tar.exe exited; CPU time 0.187500
01:36:11 (54856): 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\2\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\2\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
02:34:34 (54856): C:/Windows/system32/cmd.exe exited; CPU time 3398.562500
02:34:34 (54856): 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: 110576329 bytes.
Dumping objects ->
{3835274} normal block at 0x0000029977701170, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835263} normal block at 0x0000029977700AE0, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835252} normal block at 0x0000029977700D80, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{3835241} normal block at 0x0000029977700920, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835230} normal block at 0x0000029977701090, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{3835199} normal block at 0x00000299777AD2A0, 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) : {3835186} normal block at 0x0000029975917D40, 8 bytes long.
Data: < u > 00 00 8D 75 99 02 00 00
{3833971} normal block at 0x0000029975917BB0, 8 bytes long.
Data: <0“„w > 30 93 84 77 99 02 00 00
..\zip\boinc_zip.cpp(122) : {317} normal block at 0x0000029975922AD0, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{302} normal block at 0x000002997591EDC0, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{301} normal block at 0x0000029975924790, 16 bytes long.
Data: <øQ’u > F8 51 92 75 99 02 00 00 00 00 00 00 00 00 00 00
{300} normal block at 0x0000029975924740, 16 bytes long.
Data: <ÐQ’u > D0 51 92 75 99 02 00 00 00 00 00 00 00 00 00 00
{299} normal block at 0x000002997591CE20, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{298} normal block at 0x0000029975924600, 16 bytes long.
Data: <¨Q’u > A8 51 92 75 99 02 00 00 00 00 00 00 00 00 00 00
{297} normal block at 0x0000029975923B10, 16 bytes long.
Data: <€Q’u > 80 51 92 75 99 02 00 00 00 00 00 00 00 00 00 00
{296} normal block at 0x00000299759245B0, 16 bytes long.
Data: <XQ’u > 58 51 92 75 99 02 00 00 00 00 00 00 00 00 00 00
{295} normal block at 0x0000029975923E80, 16 bytes long.
Data: <0Q’u > 30 51 92 75 99 02 00 00 00 00 00 00 00 00 00 00
{294} normal block at 0x000002997591D5A0, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{293} normal block at 0x0000029975923BB0, 16 bytes long.
Data: <¸Çu > B8 C7 90 75 99 02 00 00 00 00 00 00 00 00 00 00
{292} normal block at 0x000002997591C580, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{291} normal block at 0x00000299759241A0, 16 bytes long.
Data: <Çu > 90 C7 90 75 99 02 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x00000299759246F0, 16 bytes long.
Data: <hǐu > 68 C7 90 75 99 02 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x0000029975924100, 16 bytes long.
Data: <@ǐu > 40 C7 90 75 99 02 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x0000029975924A60, 16 bytes long.
Data: < ǐu > 18 C7 90 75 99 02 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x00000299759248D0, 16 bytes long.
Data: <ðƐu > F0 C6 90 75 99 02 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x00000299759247E0, 16 bytes long.
Data: <ÈƐu > C8 C6 90 75 99 02 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x000002997591CDC0, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{283} normal block at 0x0000029975924510, 16 bytes long.
Data: < Æu > A0 C6 90 75 99 02 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x000002997590C6A0, 320 bytes long.
Data: < E’u ÀÍ‘u > 10 45 92 75 99 02 00 00 C0 CD 91 75 99 02 00 00
{281} normal block at 0x0000029975924470, 16 bytes long.
Data: < Q’u > 10 51 92 75 99 02 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x0000029975923C50, 16 bytes long.
Data: <èP’u > E8 50 92 75 99 02 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x000002997591CD60, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{278} normal block at 0x0000029975923E30, 16 bytes long.
Data: <ÀP’u > C0 50 92 75 99 02 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x000002997591C760, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{276} normal block at 0x0000029975923DE0, 16 bytes long.
Data: < P’u > 08 50 92 75 99 02 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x0000029975924650, 16 bytes long.
Data: <àO’u > E0 4F 92 75 99 02 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x0000029975924420, 16 bytes long.
Data: <¸O’u > B8 4F 92 75 99 02 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x00000299759246A0, 16 bytes long.
Data: <O’u > 90 4F 92 75 99 02 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x0000029975924830, 16 bytes long.
Data: <hO’u > 68 4F 92 75 99 02 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x0000029975924880, 16 bytes long.
Data: <@O’u > 40 4F 92 75 99 02 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x0000029975924970, 16 bytes long.
Data: <Ðבu > D0 D7 91 75 99 02 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x000002997591D7D0, 40 bytes long.
Data: <pI’u  Òzw > 70 49 92 75 99 02 00 00 A0 D2 7A 77 99 02 00 00
{267} normal block at 0x0000029975924A10, 16 bytes long.
Data: < O’u > 20 4F 92 75 99 02 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x00000299759249C0, 16 bytes long.
Data: <øN’u > F8 4E 92 75 99 02 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x000002997591CFA0, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{264} normal block at 0x00000299759243D0, 16 bytes long.
Data: <ÐN’u > D0 4E 92 75 99 02 00 00 00 00 00 00 00 00 00 00
{263} normal block at 0x0000029975924ED0, 992 bytes long.
Data: <ÐC’u  Ï‘u > D0 43 92 75 99 02 00 00 A0 CF 91 75 99 02 00 00
{99} normal block at 0x000002997591CAC0, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{98} normal block at 0x0000029975917E30, 16 bytes long.
Data: < Ö‘u > 10 D6 91 75 99 02 00 00 00 00 00 00 00 00 00 00
{97} normal block at 0x000002997591D610, 40 bytes long.
Data: <0~‘u ÀÊ‘u > 30 7E 91 75 99 02 00 00 C0 CA 91 75 99 02 00 00
{76} normal block at 0x0000029975917B10, 16 bytes long.
Data: <€ê/­÷ > 80 EA 2F AD F7 7F 00 00 00 00 00 00 00 00 00 00
{75} normal block at 0x0000029975918150, 16 bytes long.
Data: <@é/­÷ > 40 E9 2F AD F7 7F 00 00 00 00 00 00 00 00 00 00
{74} normal block at 0x0000029975917F20, 16 bytes long.
Data: <øW,­÷ > F8 57 2C AD F7 7F 00 00 00 00 00 00 00 00 00 00
{73} normal block at 0x0000029975917CF0, 16 bytes long.
Data: <ØW,­÷ > D8 57 2C AD F7 7F 00 00 00 00 00 00 00 00 00 00
{72} normal block at 0x0000029975917840, 16 bytes long.
Data: <P ,­÷ > 50 04 2C AD F7 7F 00 00 00 00 00 00 00 00 00 00
{71} normal block at 0x0000029975917ED0, 16 bytes long.
Data: <0 ,­÷ > 30 04 2C AD F7 7F 00 00 00 00 00 00 00 00 00 00
{70} normal block at 0x0000029975917D90, 16 bytes long.
Data: <à ,­÷ > E0 02 2C AD F7 7F 00 00 00 00 00 00 00 00 00 00
{69} normal block at 0x00000299759177A0, 16 bytes long.
Data: < ,­÷ > 10 04 2C AD F7 7F 00 00 00 00 00 00 00 00 00 00
{68} normal block at 0x0000029975918420, 16 bytes long.
Data: <p ,­÷ > 70 04 2C AD F7 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x00000299759180B0, 16 bytes long.
Data: < À*­÷ > 18 C0 2A AD F7 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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