Task 38670396
| Name | test_717-GPUGRID_TEST_ATM_40STEP_20261023-15-40-RND8342_0 |
| Workunit | 31612649 |
| Created | 25 Oct 2026, 17:24:18 UTC |
| Sent | 25 Oct 2026, 17:24:24 UTC |
| Report deadline | 30 Oct 2026, 17:24:24 UTC |
| Received | 25 Oct 2026, 17:41:24 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 630349 |
| Run time | 16 min 26 sec |
| CPU time | 14 min 39 sec |
| Validate state | Valid |
| Credit | 60,000.00 |
| Device peak FLOPS | 52,227.63 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 760.07 MB |
| Peak swap size | 11.55 GB |
| Peak disk usage | 3.49 GB |
Stderr output
<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
10:25:22 (28828): wrapper (7.9.26016): starting
10:25:22 (28828): 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
10:25:23 (28828): Library/usr/bin/tar.exe exited; CPU time 0.000000
10:25:23 (28828): 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\5\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\5\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
10:40:59 (28828): C:/Windows/system32/cmd.exe exited; CPU time 879.625000
10:40:59 (28828): called boinc_finish(0)
0 bytes in 0 Free Blocks.
460 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: 21634977 bytes.
Dumping objects ->
{3835512} normal block at 0x000002DF7CA25AB0, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835501} normal block at 0x000002DF7CA261B0, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835490} normal block at 0x000002DF7CA260D0, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{3835479} normal block at 0x000002DF7CA25E30, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835468} normal block at 0x000002DF7CA25DC0, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{3835437} normal block at 0x000002DF7E6E9710, 64 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835426} normal block at 0x000002DF7E7005B0, 102 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) : {3835423} normal block at 0x000002DF7CA1ED90, 8 bytes long.
Data: < ›|ß > 00 00 9B 7C DF 02 00 00
{3834678} normal block at 0x000002DF7E6FF7F0, 102 bytes long.
Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65
{3833959} normal block at 0x000002DF7CA1E6B0, 8 bytes long.
Data: <ðê¯|ß > F0 EA AF 7C DF 02 00 00
..\zip\boinc_zip.cpp(122) : {311} normal block at 0x000002DF7CA22220, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{296} normal block at 0x000002DF7CA16DA0, 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 0x000002DF7CA26E50, 16 bytes long.
Data: <hy¢|ß > 68 79 A2 7C DF 02 00 00 00 00 00 00 00 00 00 00
{294} normal block at 0x000002DF7CA27350, 16 bytes long.
Data: <@y¢|ß > 40 79 A2 7C DF 02 00 00 00 00 00 00 00 00 00 00
{293} normal block at 0x000002DF7CA1F910, 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 0x000002DF7CA27530, 16 bytes long.
Data: < y¢|ß > 18 79 A2 7C DF 02 00 00 00 00 00 00 00 00 00 00
{291} normal block at 0x000002DF7CA27300, 16 bytes long.
Data: <ðx¢|ß > F0 78 A2 7C DF 02 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x000002DF7CA26A90, 16 bytes long.
Data: <Èx¢|ß > C8 78 A2 7C DF 02 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x000002DF7CA27580, 16 bytes long.
Data: < x¢|ß > A0 78 A2 7C DF 02 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x000002DF7CA25F10, 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 0x000002DF7CA27170, 16 bytes long.
Data: < c¢|ß > 88 63 A2 7C DF 02 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x000002DF7CA1FCD0, 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 0x000002DF7CA269F0, 16 bytes long.
Data: <`c¢|ß > 60 63 A2 7C DF 02 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x000002DF7CA26A40, 16 bytes long.
Data: <8c¢|ß > 38 63 A2 7C DF 02 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x000002DF7CA26950, 16 bytes long.
Data: < c¢|ß > 10 63 A2 7C DF 02 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x000002DF7CA26BD0, 16 bytes long.
Data: <èb¢|ß > E8 62 A2 7C DF 02 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x000002DF7CA26900, 16 bytes long.
Data: <Àb¢|ß > C0 62 A2 7C DF 02 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x000002DF7CA26D60, 16 bytes long.
Data: < b¢|ß > 98 62 A2 7C DF 02 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x000002DF7CA20030, 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 0x000002DF7CA26B30, 16 bytes long.
Data: <pb¢|ß > 70 62 A2 7C DF 02 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x000002DF7CA26270, 320 bytes long.
Data: <0k¢|ß 0 ¢|ß > 30 6B A2 7C DF 02 00 00 30 00 A2 7C DF 02 00 00
{275} normal block at 0x000002DF7CA267C0, 16 bytes long.
Data: < x¢|ß > 80 78 A2 7C DF 02 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x000002DF7CA26770, 16 bytes long.
Data: <Xx¢|ß > 58 78 A2 7C DF 02 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x000002DF7CA20750, 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 0x000002DF7CA274E0, 16 bytes long.
Data: <0x¢|ß > 30 78 A2 7C DF 02 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x000002DF7CA206F0, 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 0x000002DF7CA266D0, 16 bytes long.
Data: <xw¢|ß > 78 77 A2 7C DF 02 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x000002DF7CA26CC0, 16 bytes long.
Data: <Pw¢|ß > 50 77 A2 7C DF 02 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x000002DF7CA275D0, 16 bytes long.
Data: <(w¢|ß > 28 77 A2 7C DF 02 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x000002DF7CA26AE0, 16 bytes long.
Data: < w¢|ß > 00 77 A2 7C DF 02 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x000002DF7CA27490, 16 bytes long.
Data: <Øv¢|ß > D8 76 A2 7C DF 02 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x000002DF7CA268B0, 16 bytes long.
Data: <°v¢|ß > B0 76 A2 7C DF 02 00 00 00 00 00 00 00 00 00 00
{263} normal block at 0x000002DF7CA27440, 16 bytes long.
Data: <@a¢|ß > 40 61 A2 7C DF 02 00 00 00 00 00 00 00 00 00 00
{262} normal block at 0x000002DF7CA26140, 40 bytes long.
Data: <@t¢|ß —n~ß > 40 74 A2 7C DF 02 00 00 10 97 6E 7E DF 02 00 00
{261} normal block at 0x000002DF7CA26860, 16 bytes long.
Data: < v¢|ß > 90 76 A2 7C DF 02 00 00 00 00 00 00 00 00 00 00
{260} normal block at 0x000002DF7CA26810, 16 bytes long.
Data: <hv¢|ß > 68 76 A2 7C DF 02 00 00 00 00 00 00 00 00 00 00
{259} normal block at 0x000002DF7CA1FC10, 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 0x000002DF7CA27030, 16 bytes long.
Data: <@v¢|ß > 40 76 A2 7C DF 02 00 00 00 00 00 00 00 00 00 00
{257} normal block at 0x000002DF7CA27640, 992 bytes long.
Data: <0p¢|ß ü¡|ß > 30 70 A2 7C DF 02 00 00 10 FC A1 7C DF 02 00 00
{93} normal block at 0x000002DF7CA1FC70, 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 0x000002DF7CA1E750, 16 bytes long.
Data: < å |ß > 90 E5 A0 7C DF 02 00 00 00 00 00 00 00 00 00 00
{91} normal block at 0x000002DF7CA0E590, 40 bytes long.
Data: <Pç¡|ß pü¡|ß > 50 E7 A1 7C DF 02 00 00 70 FC A1 7C DF 02 00 00
{70} normal block at 0x000002DF7CA1E480, 16 bytes long.
Data: < êÁdö > 80 EA C1 64 F6 7F 00 00 00 00 00 00 00 00 00 00
{69} normal block at 0x000002DF7CA1EB60, 16 bytes long.
Data: <@éÁdö > 40 E9 C1 64 F6 7F 00 00 00 00 00 00 00 00 00 00
{68} normal block at 0x000002DF7CA1EE80, 16 bytes long.
Data: <øW¾dö > F8 57 BE 64 F6 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x000002DF7CA1E2A0, 16 bytes long.
Data: <ØW¾dö > D8 57 BE 64 F6 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x000002DF7CA1EA20, 16 bytes long.
Data: <P ¾dö > 50 04 BE 64 F6 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x000002DF7CA1EAC0, 16 bytes long.
Data: <0 ¾dö > 30 04 BE 64 F6 7F 00 00 00 00 00 00 00 00 00 00
{64} normal block at 0x000002DF7CA1E2F0, 16 bytes long.
Data: <à ¾dö > E0 02 BE 64 F6 7F 00 00 00 00 00 00 00 00 00 00
{63} normal block at 0x000002DF7CA1EED0, 16 bytes long.
Data: < ¾dö > 10 04 BE 64 F6 7F 00 00 00 00 00 00 00 00 00 00
{62} normal block at 0x000002DF7CA1E430, 16 bytes long.
Data: <p ¾dö > 70 04 BE 64 F6 7F 00 00 00 00 00 00 00 00 00 00
{61} normal block at 0x000002DF7CA1EC00, 16 bytes long.
Data: < À¼dö > 18 C0 BC 64 F6 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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