Task 38698862
| Name | test_903-GPUGRID_TEST_ATM_40STEP_20261023-39-40-RND1081_0 |
| Workunit | 31639331 |
| Created | 3 Nov 2026, 5:15:59 UTC |
| Sent | 3 Nov 2026, 5:16:03 UTC |
| Report deadline | 8 Nov 2026, 5:16:03 UTC |
| Received | 3 Nov 2026, 6:40:52 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 655000 |
| Run time | 34 min 55 sec |
| CPU time | 28 min 35 sec |
| Validate state | Valid |
| Credit | 60,000.00 |
| Device peak FLOPS | 31,338.03 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 697.97 MB |
| Peak swap size | 5.44 GB |
| Peak disk usage | 3.03 GB |
Stderr output
<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
17:05:33 (24572): wrapper (7.9.26016): starting
17:05:33 (24572): 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
17:05:34 (24572): Library/usr/bin/tar.exe exited; CPU time 0.000000
17:05:34 (24572): 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
17:40:06 (24572): C:/Windows/system32/cmd.exe exited; CPU time 1715.718750
17:40:06 (24572): 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: 27368695 bytes.
Dumping objects ->
{3835178} normal block at 0x000002591D9B1850, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835167} normal block at 0x000002591D9B17E0, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835156} normal block at 0x000002591D9B1770, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{3835145} normal block at 0x000002591D9B1690, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835134} normal block at 0x000002591D9B14D0, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{3835103} normal block at 0x000002591F5F3A60, 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) : {3835090} normal block at 0x000002591D9A70D0, 8 bytes long.
Data: < 2 Y > 00 00 32 1F 59 02 00 00
{3833941} normal block at 0x000002591D9A6C20, 8 bytes long.
Data: < )e Y > 90 29 65 1F 59 02 00 00
..\zip\boinc_zip.cpp(122) : {302} normal block at 0x000002591D9B03D0, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x000002591D99A640, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{286} normal block at 0x000002591D9B2660, 16 bytes long.
Data: <hC› Y > 68 43 9B 1D 59 02 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x000002591D9B20C0, 16 bytes long.
Data: <@C› Y > 40 43 9B 1D 59 02 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x000002591D9AD620, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{283} normal block at 0x000002591D9B2070, 16 bytes long.
Data: < C› Y > 18 43 9B 1D 59 02 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x000002591D9B2570, 16 bytes long.
Data: <ðB› Y > F0 42 9B 1D 59 02 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x000002591D9B2520, 16 bytes long.
Data: <ÈB› Y > C8 42 9B 1D 59 02 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x000002591D9B29D0, 16 bytes long.
Data: < B› Y > A0 42 9B 1D 59 02 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x000002591D9B1540, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{278} normal block at 0x000002591D9B2F70, 16 bytes long.
Data: <hÈ Y > 68 C8 99 1D 59 02 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x000002591D9AD860, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{276} normal block at 0x000002591D9B2610, 16 bytes long.
Data: <@È Y > 40 C8 99 1D 59 02 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x000002591D9B24D0, 16 bytes long.
Data: < È Y > 18 C8 99 1D 59 02 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x000002591D9B27A0, 16 bytes long.
Data: <ðÇ Y > F0 C7 99 1D 59 02 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x000002591D9B2E80, 16 bytes long.
Data: <ÈÇ Y > C8 C7 99 1D 59 02 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x000002591D9B2430, 16 bytes long.
Data: < Ç Y > A0 C7 99 1D 59 02 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x000002591D9B2D40, 16 bytes long.
Data: <xÇ Y > 78 C7 99 1D 59 02 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x000002591D9AD380, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{268} normal block at 0x000002591D9B2F20, 16 bytes long.
Data: <PÇ Y > 50 C7 99 1D 59 02 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x000002591D99C750, 320 bytes long.
Data: < /› Y Óš Y > 20 2F 9B 1D 59 02 00 00 80 D3 9A 1D 59 02 00 00
{266} normal block at 0x000002591D9B22F0, 16 bytes long.
Data: < B› Y > 80 42 9B 1D 59 02 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x000002591D9B2160, 16 bytes long.
Data: <XB› Y > 58 42 9B 1D 59 02 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x000002591D9ACF00, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{263} normal block at 0x000002591D9B2A70, 16 bytes long.
Data: <0B› Y > 30 42 9B 1D 59 02 00 00 00 00 00 00 00 00 00 00
{262} normal block at 0x000002591D9AD320, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{261} normal block at 0x000002591D9B27F0, 16 bytes long.
Data: <xA› Y > 78 41 9B 1D 59 02 00 00 00 00 00 00 00 00 00 00
{260} normal block at 0x000002591D9B2FC0, 16 bytes long.
Data: <PA› Y > 50 41 9B 1D 59 02 00 00 00 00 00 00 00 00 00 00
{259} normal block at 0x000002591D9B2CA0, 16 bytes long.
Data: <(A› Y > 28 41 9B 1D 59 02 00 00 00 00 00 00 00 00 00 00
{258} normal block at 0x000002591D9B2980, 16 bytes long.
Data: < A› Y > 00 41 9B 1D 59 02 00 00 00 00 00 00 00 00 00 00
{257} normal block at 0x000002591D9B25C0, 16 bytes long.
Data: <Ø@› Y > D8 40 9B 1D 59 02 00 00 00 00 00 00 00 00 00 00
{256} normal block at 0x000002591D9B2750, 16 bytes long.
Data: <°@› Y > B0 40 9B 1D 59 02 00 00 00 00 00 00 00 00 00 00
{254} normal block at 0x000002591D9B2C00, 16 bytes long.
Data: <À › Y > C0 18 9B 1D 59 02 00 00 00 00 00 00 00 00 00 00
{253} normal block at 0x000002591D9B18C0, 40 bytes long.
Data: < ,› Y `:_ Y > 00 2C 9B 1D 59 02 00 00 60 3A 5F 1F 59 02 00 00
{252} normal block at 0x000002591D9B2DE0, 16 bytes long.
Data: < @› Y > 90 40 9B 1D 59 02 00 00 00 00 00 00 00 00 00 00
{251} normal block at 0x000002591D9B2E30, 16 bytes long.
Data: <h@› Y > 68 40 9B 1D 59 02 00 00 00 00 00 00 00 00 00 00
{250} normal block at 0x000002591D9ACEA0, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{249} normal block at 0x000002591D9B2200, 16 bytes long.
Data: <@@› Y > 40 40 9B 1D 59 02 00 00 00 00 00 00 00 00 00 00
{248} normal block at 0x000002591D9B4040, 992 bytes long.
Data: < "› Y  Îš Y > 00 22 9B 1D 59 02 00 00 A0 CE 9A 1D 59 02 00 00
{84} normal block at 0x000002591D9AD260, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{83} normal block at 0x000002591D9A69A0, 16 bytes long.
Data: <` › Y > 60 1B 9B 1D 59 02 00 00 00 00 00 00 00 00 00 00
{82} normal block at 0x000002591D9B1B60, 40 bytes long.
Data: < iš Y `Òš Y > A0 69 9A 1D 59 02 00 00 60 D2 9A 1D 59 02 00 00
{61} normal block at 0x000002591D9A68B0, 16 bytes long.
Data: < ê<v÷ > 80 EA 3C 76 F7 7F 00 00 00 00 00 00 00 00 00 00
{60} normal block at 0x000002591D9A6BD0, 16 bytes long.
Data: <@é<v÷ > 40 E9 3C 76 F7 7F 00 00 00 00 00 00 00 00 00 00
{59} normal block at 0x000002591D9A6D60, 16 bytes long.
Data: <øW9v÷ > F8 57 39 76 F7 7F 00 00 00 00 00 00 00 00 00 00
{58} normal block at 0x000002591D9A6D10, 16 bytes long.
Data: <ØW9v÷ > D8 57 39 76 F7 7F 00 00 00 00 00 00 00 00 00 00
{57} normal block at 0x000002591D9A7530, 16 bytes long.
Data: <P 9v÷ > 50 04 39 76 F7 7F 00 00 00 00 00 00 00 00 00 00
{56} normal block at 0x000002591D9A73F0, 16 bytes long.
Data: <0 9v÷ > 30 04 39 76 F7 7F 00 00 00 00 00 00 00 00 00 00
{55} normal block at 0x000002591D9A7760, 16 bytes long.
Data: <à 9v÷ > E0 02 39 76 F7 7F 00 00 00 00 00 00 00 00 00 00
{54} normal block at 0x000002591D9A6B80, 16 bytes long.
Data: < 9v÷ > 10 04 39 76 F7 7F 00 00 00 00 00 00 00 00 00 00
{53} normal block at 0x000002591D9A7490, 16 bytes long.
Data: <p 9v÷ > 70 04 39 76 F7 7F 00 00 00 00 00 00 00 00 00 00
{52} normal block at 0x000002591D9A6900, 16 bytes long.
Data: < À7v÷ > 18 C0 37 76 F7 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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