Task 38677930
| Name | test_84-GPUGRID_TEST_ATM_40STEP_20261023-28-40-RND9387_0 |
| Workunit | 31619780 |
| Created | 26 Oct 2026, 15:51:51 UTC |
| Sent | 26 Oct 2026, 15:51:58 UTC |
| Report deadline | 31 Oct 2026, 15:51:58 UTC |
| Received | 26 Oct 2026, 18:02:05 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 652544 |
| Run time | 45 min 15 sec |
| CPU time | 42 min 30 sec |
| Validate state | Valid |
| Credit | 60,000.00 |
| Device peak FLOPS | 17,076.26 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 719.07 MB |
| Peak swap size | 12.91 GB |
| Peak disk usage | 3.03 GB |
Stderr output
<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
18:18:09 (41708): wrapper (7.9.26016): starting
18:18:09 (41708): 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
18:18:11 (41708): Library/usr/bin/tar.exe exited; CPU time 0.062500
18:18:11 (41708): 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
19:01:07 (41708): C:/Windows/system32/cmd.exe exited; CPU time 2550.796875
19:01:07 (41708): called boinc_finish(0)
0 bytes in 0 Free Blocks.
538 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: 66689787 bytes.
Dumping objects ->
{3835258} normal block at 0x00000245A5C10FB0, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835247} normal block at 0x00000245A5C11410, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835236} normal block at 0x00000245A5C10A00, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{3835225} normal block at 0x00000245A5C11250, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835214} normal block at 0x00000245A5C115D0, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{3835183} normal block at 0x00000245A5CBB920, 64 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835172} normal block at 0x00000245A5DA3710, 141 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) : {3835169} normal block at 0x00000245A40060A0, 8 bytes long.
Data: < ô£E > 00 00 F4 A3 45 02 00 00
{3834553} normal block at 0x00000245A5DA34A0, 141 bytes long.
Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65
{3833947} normal block at 0x00000245A40054C0, 8 bytes long.
Data: < ªÿ£E > 80 AA FF A3 45 02 00 00
..\zip\boinc_zip.cpp(122) : {305} normal block at 0x00000245A4010BF0, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x00000245A4011B30, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{289} normal block at 0x00000245A40123B0, 16 bytes long.
Data: < / ¤E > 18 2F 01 A4 45 02 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x00000245A40129F0, 16 bytes long.
Data: <ð. ¤E > F0 2E 01 A4 45 02 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x00000245A400B9F0, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{286} normal block at 0x00000245A4012040, 16 bytes long.
Data: <È. ¤E > C8 2E 01 A4 45 02 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x00000245A4012400, 16 bytes long.
Data: < . ¤E > A0 2E 01 A4 45 02 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x00000245A4011FF0, 16 bytes long.
Data: <x. ¤E > 78 2E 01 A4 45 02 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x00000245A4012360, 16 bytes long.
Data: <P. ¤E > 50 2E 01 A4 45 02 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x00000245A400A240, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{281} normal block at 0x00000245A40124F0, 16 bytes long.
Data: <È ¤E > C8 1A 01 A4 45 02 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x00000245A400BE10, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{279} normal block at 0x00000245A4012860, 16 bytes long.
Data: <  ¤E > A0 1A 01 A4 45 02 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x00000245A40125E0, 16 bytes long.
Data: <x ¤E > 78 1A 01 A4 45 02 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x00000245A40129A0, 16 bytes long.
Data: <P ¤E > 50 1A 01 A4 45 02 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x00000245A4011FA0, 16 bytes long.
Data: <( ¤E > 28 1A 01 A4 45 02 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x00000245A4012450, 16 bytes long.
Data: < ¤E > 00 1A 01 A4 45 02 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x00000245A4012AE0, 16 bytes long.
Data: <Ø ¤E > D8 19 01 A4 45 02 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x00000245A400BD50, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{271} normal block at 0x00000245A4012270, 16 bytes long.
Data: <° ¤E > B0 19 01 A4 45 02 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x00000245A40119B0, 320 bytes long.
Data: <p" ¤E P½ ¤E > 70 22 01 A4 45 02 00 00 50 BD 00 A4 45 02 00 00
{269} normal block at 0x00000245A4011EB0, 16 bytes long.
Data: <0. ¤E > 30 2E 01 A4 45 02 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x00000245A4012B80, 16 bytes long.
Data: < . ¤E > 08 2E 01 A4 45 02 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x00000245A400C4D0, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{266} normal block at 0x00000245A4011DC0, 16 bytes long.
Data: <à- ¤E > E0 2D 01 A4 45 02 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x00000245A400BBD0, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{264} normal block at 0x00000245A4012590, 16 bytes long.
Data: <(- ¤E > 28 2D 01 A4 45 02 00 00 00 00 00 00 00 00 00 00
{263} normal block at 0x00000245A4011C30, 16 bytes long.
Data: < - ¤E > 00 2D 01 A4 45 02 00 00 00 00 00 00 00 00 00 00
{262} normal block at 0x00000245A4011D70, 16 bytes long.
Data: <Ø, ¤E > D8 2C 01 A4 45 02 00 00 00 00 00 00 00 00 00 00
{261} normal block at 0x00000245A4011D20, 16 bytes long.
Data: <°, ¤E > B0 2C 01 A4 45 02 00 00 00 00 00 00 00 00 00 00
{260} normal block at 0x00000245A40121D0, 16 bytes long.
Data: < , ¤E > 88 2C 01 A4 45 02 00 00 00 00 00 00 00 00 00 00
{259} normal block at 0x00000245A4012220, 16 bytes long.
Data: <`, ¤E > 60 2C 01 A4 45 02 00 00 00 00 00 00 00 00 00 00
{257} normal block at 0x00000245A4012180, 16 bytes long.
Data: <0¦ ¤E > 30 A6 00 A4 45 02 00 00 00 00 00 00 00 00 00 00
{256} normal block at 0x00000245A400A630, 40 bytes long.
Data: < ! ¤E ¹Ë¥E > 80 21 01 A4 45 02 00 00 20 B9 CB A5 45 02 00 00
{255} normal block at 0x00000245A4012310, 16 bytes long.
Data: <@, ¤E > 40 2C 01 A4 45 02 00 00 00 00 00 00 00 00 00 00
{254} normal block at 0x00000245A4011CD0, 16 bytes long.
Data: < , ¤E > 18 2C 01 A4 45 02 00 00 00 00 00 00 00 00 00 00
{253} normal block at 0x00000245A400B750, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{252} normal block at 0x00000245A4012130, 16 bytes long.
Data: <ð+ ¤E > F0 2B 01 A4 45 02 00 00 00 00 00 00 00 00 00 00
{251} normal block at 0x00000245A4012BF0, 992 bytes long.
Data: <0! ¤E P· ¤E > 30 21 01 A4 45 02 00 00 50 B7 00 A4 45 02 00 00
{87} normal block at 0x00000245A400C170, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{86} normal block at 0x00000245A4005B00, 16 bytes long.
Data: <С ¤E > D0 A1 00 A4 45 02 00 00 00 00 00 00 00 00 00 00
{85} normal block at 0x00000245A400A1D0, 40 bytes long.
Data: < [ ¤E pÁ ¤E > 00 5B 00 A4 45 02 00 00 70 C1 00 A4 45 02 00 00
{64} normal block at 0x00000245A4005790, 16 bytes long.
Data: < ê Êö > 80 EA 90 CA F6 7F 00 00 00 00 00 00 00 00 00 00
{63} normal block at 0x00000245A4006230, 16 bytes long.
Data: <@é Êö > 40 E9 90 CA F6 7F 00 00 00 00 00 00 00 00 00 00
{62} normal block at 0x00000245A4005AB0, 16 bytes long.
Data: <øW Êö > F8 57 8D CA F6 7F 00 00 00 00 00 00 00 00 00 00
{61} normal block at 0x00000245A4005880, 16 bytes long.
Data: <ØW Êö > D8 57 8D CA F6 7F 00 00 00 00 00 00 00 00 00 00
{60} normal block at 0x00000245A4005F10, 16 bytes long.
Data: <P Êö > 50 04 8D CA F6 7F 00 00 00 00 00 00 00 00 00 00
{59} normal block at 0x00000245A4005BF0, 16 bytes long.
Data: <0 Êö > 30 04 8D CA F6 7F 00 00 00 00 00 00 00 00 00 00
{58} normal block at 0x00000245A4005B50, 16 bytes long.
Data: <à Êö > E0 02 8D CA F6 7F 00 00 00 00 00 00 00 00 00 00
{57} normal block at 0x00000245A40060F0, 16 bytes long.
Data: < Êö > 10 04 8D CA F6 7F 00 00 00 00 00 00 00 00 00 00
{56} normal block at 0x00000245A40061E0, 16 bytes long.
Data: <p Êö > 70 04 8D CA F6 7F 00 00 00 00 00 00 00 00 00 00
{55} normal block at 0x00000245A40062D0, 16 bytes long.
Data: < À‹Êö > 18 C0 8B CA F6 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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