Task 38648116
| Name | test_968-GPUGRID_TEST_ATM_4STEP_20261023-0-4-RND4663_0 |
| Workunit | 31592833 |
| Created | 23 Oct 2026, 20:31:11 UTC |
| Sent | 23 Oct 2026, 22:02:52 UTC |
| Report deadline | 28 Oct 2026, 22:02:52 UTC |
| Received | 23 Oct 2026, 22:33:52 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 648901 |
| Run time | 27 min 16 sec |
| CPU time | 25 min 2 sec |
| Validate state | Valid |
| Credit | 60,000.00 |
| Device peak FLOPS | 20,670.50 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 698.80 MB |
| Peak swap size | 8.42 GB |
| Peak disk usage | 2.97 GB |
Stderr output
<core_client_version>8.2.8</core_client_version>
<![CDATA[
<stderr_txt>
16:06:39 (488): wrapper (7.9.26016): starting
16:06:39 (488): 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
16:06:40 (488): Library/usr/bin/tar.exe exited; CPU time 0.015625
16:06:40 (488): 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\17\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\17\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
16:32:35 (488): C:/Windows/system32/cmd.exe exited; CPU time 1502.343750
16:32:35 (488): 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: 29109235 bytes.
Dumping objects ->
{3835198} normal block at 0x000001A3678D6810, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835187} normal block at 0x000001A3678D7370, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835176} normal block at 0x000001A3678D6F80, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{3835165} normal block at 0x000001A365B96F40, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835154} normal block at 0x000001A365B96ED0, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{3835123} normal block at 0x000001A3678784B0, 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) : {3835110} normal block at 0x000001A365B8E2F0, 8 bytes long.
Data: < õe£ > 00 00 F5 65 A3 01 00 00
{3833959} normal block at 0x000001A365B8DA30, 8 bytes long.
Data: <0êÆe£ > 30 EA C6 65 A3 01 00 00
..\zip\boinc_zip.cpp(122) : {311} normal block at 0x000001A365B91FC0, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{296} normal block at 0x000001A365B86480, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{295} normal block at 0x000001A365B986F0, 16 bytes long.
Data: <Øx¹e£ > D8 78 B9 65 A3 01 00 00 00 00 00 00 00 00 00 00
{294} normal block at 0x000001A365B97ED0, 16 bytes long.
Data: <°x¹e£ > B0 78 B9 65 A3 01 00 00 00 00 00 00 00 00 00 00
{293} normal block at 0x000001A365B8FD70, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{292} normal block at 0x000001A365B98330, 16 bytes long.
Data: < x¹e£ > 88 78 B9 65 A3 01 00 00 00 00 00 00 00 00 00 00
{291} normal block at 0x000001A365B97E80, 16 bytes long.
Data: <`x¹e£ > 60 78 B9 65 A3 01 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x000001A365B983D0, 16 bytes long.
Data: <8x¹e£ > 38 78 B9 65 A3 01 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x000001A365B97CA0, 16 bytes long.
Data: < x¹e£ > 10 78 B9 65 A3 01 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x000001A365B96FB0, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{287} normal block at 0x000001A365B981F0, 16 bytes long.
Data: <Øö·e£ > D8 F6 B7 65 A3 01 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x000001A365B8F9B0, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{285} normal block at 0x000001A365B98970, 16 bytes long.
Data: <°ö·e£ > B0 F6 B7 65 A3 01 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x000001A365B98420, 16 bytes long.
Data: < ö·e£ > 88 F6 B7 65 A3 01 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x000001A365B97AC0, 16 bytes long.
Data: <`ö·e£ > 60 F6 B7 65 A3 01 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x000001A365B97E30, 16 bytes long.
Data: <8ö·e£ > 38 F6 B7 65 A3 01 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x000001A365B98290, 16 bytes long.
Data: < ö·e£ > 10 F6 B7 65 A3 01 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x000001A365B97F20, 16 bytes long.
Data: <èõ·e£ > E8 F5 B7 65 A3 01 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x000001A365B8FC50, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{277} normal block at 0x000001A365B97DE0, 16 bytes long.
Data: <Àõ·e£ > C0 F5 B7 65 A3 01 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x000001A365B7F5C0, 320 bytes long.
Data: <à}¹e£ Pü¸e£ > E0 7D B9 65 A3 01 00 00 50 FC B8 65 A3 01 00 00
{275} normal block at 0x000001A365B97FC0, 16 bytes long.
Data: <ðw¹e£ > F0 77 B9 65 A3 01 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x000001A365B97A70, 16 bytes long.
Data: <Èw¹e£ > C8 77 B9 65 A3 01 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x000001A365B8F8F0, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{272} normal block at 0x000001A365B984C0, 16 bytes long.
Data: < w¹e£ > A0 77 B9 65 A3 01 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x000001A365B8F650, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{270} normal block at 0x000001A365B97D90, 16 bytes long.
Data: <èv¹e£ > E8 76 B9 65 A3 01 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x000001A365B98150, 16 bytes long.
Data: <Àv¹e£ > C0 76 B9 65 A3 01 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x000001A365B97F70, 16 bytes long.
Data: < v¹e£ > 98 76 B9 65 A3 01 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x000001A365B980B0, 16 bytes long.
Data: <pv¹e£ > 70 76 B9 65 A3 01 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x000001A365B985B0, 16 bytes long.
Data: <Hv¹e£ > 48 76 B9 65 A3 01 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x000001A365B8E250, 16 bytes long.
Data: < v¹e£ > 20 76 B9 65 A3 01 00 00 00 00 00 00 00 00 00 00
{263} normal block at 0x000001A365B8E200, 16 bytes long.
Data: < q¹e£ > 00 71 B9 65 A3 01 00 00 00 00 00 00 00 00 00 00
{262} normal block at 0x000001A365B97100, 40 bytes long.
Data: < â¸e£ °„‡g£ > 00 E2 B8 65 A3 01 00 00 B0 84 87 67 A3 01 00 00
{261} normal block at 0x000001A365B8E1B0, 16 bytes long.
Data: < v¹e£ > 00 76 B9 65 A3 01 00 00 00 00 00 00 00 00 00 00
{260} normal block at 0x000001A365B8E110, 16 bytes long.
Data: <Øu¹e£ > D8 75 B9 65 A3 01 00 00 00 00 00 00 00 00 00 00
{259} normal block at 0x000001A365B8F470, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{258} normal block at 0x000001A365B8DDA0, 16 bytes long.
Data: <°u¹e£ > B0 75 B9 65 A3 01 00 00 00 00 00 00 00 00 00 00
{257} normal block at 0x000001A365B975B0, 992 bytes long.
Data: < Ý¸e£ pô¸e£ > A0 DD B8 65 A3 01 00 00 70 F4 B8 65 A3 01 00 00
{93} normal block at 0x000001A365B8FD10, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{92} normal block at 0x000001A365B8D620, 16 bytes long.
Data: <Pr¹e£ > 50 72 B9 65 A3 01 00 00 00 00 00 00 00 00 00 00
{91} normal block at 0x000001A365B97250, 40 bytes long.
Data: < Ö¸e£ ý¸e£ > 20 D6 B8 65 A3 01 00 00 10 FD B8 65 A3 01 00 00
{70} normal block at 0x000001A365B8DC60, 16 bytes long.
Data: < ê =÷ > 80 EA 8D 3D F7 7F 00 00 00 00 00 00 00 00 00 00
{69} normal block at 0x000001A365B8DFD0, 16 bytes long.
Data: <@é =÷ > 40 E9 8D 3D F7 7F 00 00 00 00 00 00 00 00 00 00
{68} normal block at 0x000001A365B8D850, 16 bytes long.
Data: <øWŠ=÷ > F8 57 8A 3D F7 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x000001A365B8DB20, 16 bytes long.
Data: <ØWŠ=÷ > D8 57 8A 3D F7 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x000001A365B8E160, 16 bytes long.
Data: <P Š=÷ > 50 04 8A 3D F7 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x000001A365B8DE40, 16 bytes long.
Data: <0 Š=÷ > 30 04 8A 3D F7 7F 00 00 00 00 00 00 00 00 00 00
{64} normal block at 0x000001A365B8D580, 16 bytes long.
Data: <à Š=÷ > E0 02 8A 3D F7 7F 00 00 00 00 00 00 00 00 00 00
{63} normal block at 0x000001A365B8DB70, 16 bytes long.
Data: < Š=÷ > 10 04 8A 3D F7 7F 00 00 00 00 00 00 00 00 00 00
{62} normal block at 0x000001A365B8DAD0, 16 bytes long.
Data: <p Š=÷ > 70 04 8A 3D F7 7F 00 00 00 00 00 00 00 00 00 00
{61} normal block at 0x000001A365B8D760, 16 bytes long.
Data: < À =÷ > 18 C0 88 3D F7 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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