Task 38682389
| Name | test_557-GPUGRID_TEST_ATM_40STEP_20261023-37-40-RND5717_0 |
| Workunit | 31624005 |
| Created | 27 Oct 2026, 7:38:15 UTC |
| Sent | 27 Oct 2026, 7:38:22 UTC |
| Report deadline | 1 Nov 2026, 7:38:22 UTC |
| Received | 27 Oct 2026, 8:35:37 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 518413 |
| Run time | 21 min 47 sec |
| CPU time | 20 min 31 sec |
| Validate state | Valid |
| Credit | 60,000.00 |
| Device peak FLOPS | 36,867.63 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 708.89 MB |
| Peak swap size | 6.98 GB |
| Peak disk usage | 3.03 GB |
Stderr output
<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
01:13:40 (56284): wrapper (7.9.26016): starting
01:13:40 (56284): 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
01:13:41 (56284): Library/usr/bin/tar.exe exited; CPU time 0.000000
01:13:41 (56284): 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\1\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\1\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
01:34:34 (56284): C:/Windows/system32/cmd.exe exited; CPU time 1231.453125
01:34:34 (56284): called boinc_finish(0)
0 bytes in 0 Free Blocks.
536 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: 23381485 bytes.
Dumping objects ->
{3835219} normal block at 0x0000021F72B54F60, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835208} normal block at 0x0000021F72B55040, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835197} normal block at 0x0000021F72B55660, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{3835186} normal block at 0x0000021F72B555F0, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835175} normal block at 0x0000021F72B55430, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{3835144} normal block at 0x0000021F74767570, 64 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835133} normal block at 0x0000021F72BAC630, 140 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) : {3835130} normal block at 0x0000021F72B4F9E0, 8 bytes long.
Data: < °r > 00 00 B0 72 1F 02 00 00
{3834533} normal block at 0x0000021F72BACCB0, 140 bytes long.
Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65
{3833951} normal block at 0x0000021F72B4F990, 8 bytes long.
Data: <0©·r > 30 A9 B7 72 1F 02 00 00
..\zip\boinc_zip.cpp(122) : {307} normal block at 0x0000021F72B4E570, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{292} normal block at 0x0000021F72B462E0, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{291} normal block at 0x0000021F72B56610, 16 bytes long.
Data: <Xnµr > 58 6E B5 72 1F 02 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x0000021F72B55F80, 16 bytes long.
Data: <0nµr > 30 6E B5 72 1F 02 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x0000021F72B508F0, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{288} normal block at 0x0000021F72B55BC0, 16 bytes long.
Data: < nµr > 08 6E B5 72 1F 02 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x0000021F72B56340, 16 bytes long.
Data: <àmµr > E0 6D B5 72 1F 02 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x0000021F72B562F0, 16 bytes long.
Data: <¸mµr > B8 6D B5 72 1F 02 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x0000021F72B56980, 16 bytes long.
Data: < mµr > 90 6D B5 72 1F 02 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x0000021F72B552E0, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{283} normal block at 0x0000021F72B566B0, 16 bytes long.
Data: <8”´r > 38 94 B4 72 1F 02 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x0000021F72B50110, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{281} normal block at 0x0000021F72B562A0, 16 bytes long.
Data: < ”´r > 10 94 B4 72 1F 02 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x0000021F72B55D00, 16 bytes long.
Data: <è“´r > E8 93 B4 72 1F 02 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x0000021F72B565C0, 16 bytes long.
Data: <À“´r > C0 93 B4 72 1F 02 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x0000021F72B56250, 16 bytes long.
Data: < “´r > 98 93 B4 72 1F 02 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x0000021F72B56200, 16 bytes long.
Data: <p“´r > 70 93 B4 72 1F 02 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x0000021F72B55B70, 16 bytes long.
Data: <H“´r > 48 93 B4 72 1F 02 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x0000021F72B50710, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{273} normal block at 0x0000021F72B568E0, 16 bytes long.
Data: < “´r > 20 93 B4 72 1F 02 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x0000021F72B49320, 320 bytes long.
Data: <àhµr µr > E0 68 B5 72 1F 02 00 00 10 07 B5 72 1F 02 00 00
{271} normal block at 0x0000021F72B55E90, 16 bytes long.
Data: <pmµr > 70 6D B5 72 1F 02 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x0000021F72B55DF0, 16 bytes long.
Data: <Hmµr > 48 6D B5 72 1F 02 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x0000021F72B50A10, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{268} normal block at 0x0000021F72B561B0, 16 bytes long.
Data: < mµr > 20 6D B5 72 1F 02 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x0000021F72B500B0, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{266} normal block at 0x0000021F72B56160, 16 bytes long.
Data: <hlµr > 68 6C B5 72 1F 02 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x0000021F72B56070, 16 bytes long.
Data: <@lµr > 40 6C B5 72 1F 02 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x0000021F72B56520, 16 bytes long.
Data: < lµr > 18 6C B5 72 1F 02 00 00 00 00 00 00 00 00 00 00
{263} normal block at 0x0000021F72B567A0, 16 bytes long.
Data: <ðkµr > F0 6B B5 72 1F 02 00 00 00 00 00 00 00 00 00 00
{262} normal block at 0x0000021F72B56A20, 16 bytes long.
Data: <Èkµr > C8 6B B5 72 1F 02 00 00 00 00 00 00 00 00 00 00
{261} normal block at 0x0000021F72B55D50, 16 bytes long.
Data: < kµr > A0 6B B5 72 1F 02 00 00 00 00 00 00 00 00 00 00
{259} normal block at 0x0000021F72B56930, 16 bytes long.
Data: < Uµr > 80 55 B5 72 1F 02 00 00 00 00 00 00 00 00 00 00
{258} normal block at 0x0000021F72B55580, 40 bytes long.
Data: <0iµr puvt > 30 69 B5 72 1F 02 00 00 70 75 76 74 1F 02 00 00
{257} normal block at 0x0000021F72B56AC0, 16 bytes long.
Data: < kµr > 80 6B B5 72 1F 02 00 00 00 00 00 00 00 00 00 00
{256} normal block at 0x0000021F72B56110, 16 bytes long.
Data: <Xkµr > 58 6B B5 72 1F 02 00 00 00 00 00 00 00 00 00 00
{255} normal block at 0x0000021F72B50EF0, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{254} normal block at 0x0000021F72B56020, 16 bytes long.
Data: <0kµr > 30 6B B5 72 1F 02 00 00 00 00 00 00 00 00 00 00
{253} normal block at 0x0000021F72B56B30, 992 bytes long.
Data: < `µr ð µr > 20 60 B5 72 1F 02 00 00 F0 0E B5 72 1F 02 00 00
{89} normal block at 0x0000021F72B50E30, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{88} normal block at 0x0000021F72B4FDF0, 16 bytes long.
Data: <°ç³r > B0 E7 B3 72 1F 02 00 00 00 00 00 00 00 00 00 00
{87} normal block at 0x0000021F72B3E7B0, 40 bytes long.
Data: <ðý´r 0 µr > F0 FD B4 72 1F 02 00 00 30 0E B5 72 1F 02 00 00
{66} normal block at 0x0000021F72B4F350, 16 bytes long.
Data: < êY ö > 80 EA 59 06 F6 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x0000021F72B4F580, 16 bytes long.
Data: <@éY ö > 40 E9 59 06 F6 7F 00 00 00 00 00 00 00 00 00 00
{64} normal block at 0x0000021F72B4FEE0, 16 bytes long.
Data: <øWV ö > F8 57 56 06 F6 7F 00 00 00 00 00 00 00 00 00 00
{63} normal block at 0x0000021F72B4F5D0, 16 bytes long.
Data: <ØWV ö > D8 57 56 06 F6 7F 00 00 00 00 00 00 00 00 00 00
{62} normal block at 0x0000021F72B4FD50, 16 bytes long.
Data: <P V ö > 50 04 56 06 F6 7F 00 00 00 00 00 00 00 00 00 00
{61} normal block at 0x0000021F72B4F080, 16 bytes long.
Data: <0 V ö > 30 04 56 06 F6 7F 00 00 00 00 00 00 00 00 00 00
{60} normal block at 0x0000021F72B4FE90, 16 bytes long.
Data: <à V ö > E0 02 56 06 F6 7F 00 00 00 00 00 00 00 00 00 00
{59} normal block at 0x0000021F72B4F030, 16 bytes long.
Data: < V ö > 10 04 56 06 F6 7F 00 00 00 00 00 00 00 00 00 00
{58} normal block at 0x0000021F72B4F4E0, 16 bytes long.
Data: <p V ö > 70 04 56 06 F6 7F 00 00 00 00 00 00 00 00 00 00
{57} normal block at 0x0000021F72B4F300, 16 bytes long.
Data: < ÀT ö > 18 C0 54 06 F6 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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