Task 38662090
| Name | test_540-GPUGRID_TEST_ATM_40STEP_20261023-5-40-RND5545_2 |
| Workunit | 31601452 |
| Created | 24 Oct 2026, 17:35:34 UTC |
| Sent | 24 Oct 2026, 17:35:55 UTC |
| Report deadline | 29 Oct 2026, 17:35:55 UTC |
| Received | 24 Oct 2026, 21:10:55 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 631132 |
| Run time | 27 min 23 sec |
| CPU time | 24 min 59 sec |
| Validate state | Valid |
| Credit | 60,000.00 |
| Device peak FLOPS | 22,068.26 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 683.64 MB |
| Peak swap size | 6.89 GB |
| Peak disk usage | 3.03 GB |
Stderr output
<core_client_version>8.2.8</core_client_version>
<![CDATA[
<stderr_txt>
02:42:36 (27124): wrapper (7.9.26016): starting
02:42:36 (27124): 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
02:42:37 (27124): Library/usr/bin/tar.exe exited; CPU time 0.000000
02:42:37 (27124): 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\13\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\13\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
03:09:02 (27124): C:/Windows/system32/cmd.exe exited; CPU time 1499.546875
03:09:02 (27124): called boinc_finish(0)
0 bytes in 0 Free Blocks.
616 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: 27803167 bytes.
Dumping objects ->
{3835523} normal block at 0x0000025C850BC960, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835512} normal block at 0x0000025C850BCC70, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835501} normal block at 0x0000025C850BCB90, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{3835490} normal block at 0x0000025C850BC570, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835479} normal block at 0x0000025C83224A10, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{3835448} normal block at 0x0000025C85104700, 64 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835437} normal block at 0x0000025C85162FF0, 180 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) : {3835434} normal block at 0x0000025C8321F1D0, 8 bytes long.
Data: < S \ > 00 00 53 83 5C 02 00 00
{3834732} normal block at 0x0000025C851631D0, 180 bytes long.
Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65
{3834057} normal block at 0x0000025C8321EF00, 8 bytes long.
Data: <°A \ > B0 41 16 85 5C 02 00 00
..\zip\boinc_zip.cpp(122) : {312} normal block at 0x0000025C83220ED0, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{297} normal block at 0x0000025C83216960, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{296} normal block at 0x0000025C832264D0, 16 bytes long.
Data: <hh" \ > 68 68 22 83 5C 02 00 00 00 00 00 00 00 00 00 00
{295} normal block at 0x0000025C83225850, 16 bytes long.
Data: <@h" \ > 40 68 22 83 5C 02 00 00 00 00 00 00 00 00 00 00
{294} normal block at 0x0000025C8321F8C0, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{293} normal block at 0x0000025C832257B0, 16 bytes long.
Data: < h" \ > 18 68 22 83 5C 02 00 00 00 00 00 00 00 00 00 00
{292} normal block at 0x0000025C83225F30, 16 bytes long.
Data: < g" \ > F0 67 22 83 5C 02 00 00 00 00 00 00 00 00 00 00
{291} normal block at 0x0000025C83226160, 16 bytes long.
Data: <Èg" \ > C8 67 22 83 5C 02 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x0000025C83226390, 16 bytes long.
Data: < g" \ > A0 67 22 83 5C 02 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x0000025C83224A80, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{288} normal block at 0x0000025C83225E40, 16 bytes long.
Data: <xµ \ > 78 B5 20 83 5C 02 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x0000025C8321FAA0, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{286} normal block at 0x0000025C832260C0, 16 bytes long.
Data: <Pµ \ > 50 B5 20 83 5C 02 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x0000025C83225670, 16 bytes long.
Data: <(µ \ > 28 B5 20 83 5C 02 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x0000025C832255D0, 16 bytes long.
Data: < µ \ > 00 B5 20 83 5C 02 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x0000025C83226250, 16 bytes long.
Data: <Ø´ \ > D8 B4 20 83 5C 02 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x0000025C83225620, 16 bytes long.
Data: <°´ \ > B0 B4 20 83 5C 02 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x0000025C83225760, 16 bytes long.
Data: < ´ \ > 88 B4 20 83 5C 02 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x0000025C83220040, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{278} normal block at 0x0000025C83226070, 16 bytes long.
Data: <`´ \ > 60 B4 20 83 5C 02 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x0000025C8320B460, 320 bytes long.
Data: <p`" \ @ " \ > 70 60 22 83 5C 02 00 00 40 00 22 83 5C 02 00 00
{276} normal block at 0x0000025C83225990, 16 bytes long.
Data: < g" \ > 80 67 22 83 5C 02 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x0000025C83225D00, 16 bytes long.
Data: <Xg" \ > 58 67 22 83 5C 02 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x0000025C83220220, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{273} normal block at 0x0000025C83225DA0, 16 bytes long.
Data: <0g" \ > 30 67 22 83 5C 02 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x0000025C83220400, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{271} normal block at 0x0000025C83226340, 16 bytes long.
Data: <xf" \ > 78 66 22 83 5C 02 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x0000025C832262F0, 16 bytes long.
Data: <Pf" \ > 50 66 22 83 5C 02 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x0000025C832263E0, 16 bytes long.
Data: <(f" \ > 28 66 22 83 5C 02 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x0000025C83225C60, 16 bytes long.
Data: < f" \ > 00 66 22 83 5C 02 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x0000025C83226020, 16 bytes long.
Data: <Øe" \ > D8 65 22 83 5C 02 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x0000025C83225C10, 16 bytes long.
Data: <°e" \ > B0 65 22 83 5C 02 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x0000025C832262A0, 16 bytes long.
Data: <°L" \ > B0 4C 22 83 5C 02 00 00 00 00 00 00 00 00 00 00
{263} normal block at 0x0000025C83224CB0, 40 bytes long.
Data: < b" \ G \ > A0 62 22 83 5C 02 00 00 00 47 10 85 5C 02 00 00
{262} normal block at 0x0000025C83225FD0, 16 bytes long.
Data: < e" \ > 90 65 22 83 5C 02 00 00 00 00 00 00 00 00 00 00
{261} normal block at 0x0000025C83226480, 16 bytes long.
Data: <he" \ > 68 65 22 83 5C 02 00 00 00 00 00 00 00 00 00 00
{260} normal block at 0x0000025C8321F980, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{259} normal block at 0x0000025C83225F80, 16 bytes long.
Data: <@e" \ > 40 65 22 83 5C 02 00 00 00 00 00 00 00 00 00 00
{258} normal block at 0x0000025C83226540, 992 bytes long.
Data: < _" \ ! \ > 80 5F 22 83 5C 02 00 00 80 F9 21 83 5C 02 00 00
{94} normal block at 0x0000025C8321FB00, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{93} normal block at 0x0000025C8321EAF0, 16 bytes long.
Data: < F" \ > 90 46 22 83 5C 02 00 00 00 00 00 00 00 00 00 00
{92} normal block at 0x0000025C83224690, 40 bytes long.
Data: < ! \ ! \ > F0 EA 21 83 5C 02 00 00 00 FB 21 83 5C 02 00 00
{69} normal block at 0x0000025C8321E820, 16 bytes long.
Data: < ¦ > 80 EA F1 A6 F7 7F 00 00 00 00 00 00 00 00 00 00
{68} normal block at 0x0000025C8321EE60, 16 bytes long.
Data: <@ ¦ > 40 E9 F1 A6 F7 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x0000025C8321EF50, 16 bytes long.
Data: < W ¦ > F8 57 EE A6 F7 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x0000025C8321E8C0, 16 bytes long.
Data: <ØW ¦ > D8 57 EE A6 F7 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x0000025C8321EBE0, 16 bytes long.
Data: <P ¦ > 50 04 EE A6 F7 7F 00 00 00 00 00 00 00 00 00 00
{64} normal block at 0x0000025C8321F310, 16 bytes long.
Data: <0 ¦ > 30 04 EE A6 F7 7F 00 00 00 00 00 00 00 00 00 00
{63} normal block at 0x0000025C8321F090, 16 bytes long.
Data: < ¦ > E0 02 EE A6 F7 7F 00 00 00 00 00 00 00 00 00 00
{62} normal block at 0x0000025C8321EDC0, 16 bytes long.
Data: < ¦ > 10 04 EE A6 F7 7F 00 00 00 00 00 00 00 00 00 00
{61} normal block at 0x0000025C8321F2C0, 16 bytes long.
Data: <p ¦ > 70 04 EE A6 F7 7F 00 00 00 00 00 00 00 00 00 00
{60} normal block at 0x0000025C8321F4A0, 16 bytes long.
Data: < À ¦ > 18 C0 EC A6 F7 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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