Task 38686702
| Name | test_406-GPUGRID_TEST_ATM_40STEP_20261023-33-40-RND8261_0 |
| Workunit | 31628124 |
| Created | 28 Oct 2026, 3:57:11 UTC |
| Sent | 28 Oct 2026, 3:57:19 UTC |
| Report deadline | 2 Nov 2026, 3:57:19 UTC |
| Received | 28 Oct 2026, 7:22:44 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 623084 |
| Run time | 1 hours 8 min 19 sec |
| CPU time | 1 hours 4 min 29 sec |
| Validate state | Valid |
| Credit | 60,000.00 |
| Device peak FLOPS | 2,503.42 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 740.00 MB |
| Peak swap size | 12.77 GB |
| Peak disk usage | 3.03 GB |
Stderr output
<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
15:14:40 (43944): wrapper (7.9.26016): starting
15:14:40 (43944): 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
15:14:41 (43944): Library/usr/bin/tar.exe exited; CPU time 0.000000
15:14:41 (43944): 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\34\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\34\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
16:22:02 (43944): C:/Windows/system32/cmd.exe exited; CPU time 3869.796875
16:22:02 (43944): called boinc_finish(0)
0 bytes in 0 Free Blocks.
464 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: 67963799 bytes.
Dumping objects ->
{3835600} normal block at 0x000002D669B2A040, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835589} normal block at 0x000002D669B2A7B0, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835578} normal block at 0x000002D669B2A5F0, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{3835567} normal block at 0x000002D669B2A740, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835556} normal block at 0x000002D669B2A0B0, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{3835525} normal block at 0x000002D66BA88A30, 64 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835514} normal block at 0x000002D66BA9ECC0, 104 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) : {3835511} normal block at 0x000002D669AFED80, 8 bytes long.
Data: < «iÖ > 00 00 AB 69 D6 02 00 00
{3834797} normal block at 0x000002D66BA9F240, 104 bytes long.
Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65
{3834105} normal block at 0x000002D669AFE740, 8 bytes long.
Data: < ½iÖ > 90 E5 BD 69 D6 02 00 00
..\zip\boinc_zip.cpp(122) : {324} normal block at 0x000002D669B02E10, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{309} normal block at 0x000002D669AF7370, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{308} normal block at 0x000002D669B06580, 16 bytes long.
Data: <xw°iÖ > 78 77 B0 69 D6 02 00 00 00 00 00 00 00 00 00 00
{307} normal block at 0x000002D669B067B0, 16 bytes long.
Data: <Pw°iÖ > 50 77 B0 69 D6 02 00 00 00 00 00 00 00 00 00 00
{306} normal block at 0x000002D669B002B0, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{305} normal block at 0x000002D669B06530, 16 bytes long.
Data: <(w°iÖ > 28 77 B0 69 D6 02 00 00 00 00 00 00 00 00 00 00
{304} normal block at 0x000002D669B06490, 16 bytes long.
Data: < w°iÖ > 00 77 B0 69 D6 02 00 00 00 00 00 00 00 00 00 00
{303} normal block at 0x000002D669B07390, 16 bytes long.
Data: <Øv°iÖ > D8 76 B0 69 D6 02 00 00 00 00 00 00 00 00 00 00
{302} normal block at 0x000002D669B06800, 16 bytes long.
Data: <°v°iÖ > B0 76 B0 69 D6 02 00 00 00 00 00 00 00 00 00 00
{301} normal block at 0x000002D669B015F0, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{300} normal block at 0x000002D669B06D50, 16 bytes long.
Data: <8 °iÖ > 38 01 B0 69 D6 02 00 00 00 00 00 00 00 00 00 00
{299} normal block at 0x000002D669B00790, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{298} normal block at 0x000002D669B06760, 16 bytes long.
Data: < °iÖ > 10 01 B0 69 D6 02 00 00 00 00 00 00 00 00 00 00
{296} normal block at 0x000002D669B06990, 16 bytes long.
Data: < °iÖ > E8 00 B0 69 D6 02 00 00 00 00 00 00 00 00 00 00
{295} normal block at 0x000002D669B06E40, 16 bytes long.
Data: <À °iÖ > C0 00 B0 69 D6 02 00 00 00 00 00 00 00 00 00 00
{294} normal block at 0x000002D669B06710, 16 bytes long.
Data: < °iÖ > 98 00 B0 69 D6 02 00 00 00 00 00 00 00 00 00 00
{293} normal block at 0x000002D669B072F0, 16 bytes long.
Data: <p °iÖ > 70 00 B0 69 D6 02 00 00 00 00 00 00 00 00 00 00
{292} normal block at 0x000002D669B072A0, 16 bytes long.
Data: <H °iÖ > 48 00 B0 69 D6 02 00 00 00 00 00 00 00 00 00 00
{291} normal block at 0x000002D669B01090, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{290} normal block at 0x000002D669B07250, 16 bytes long.
Data: < °iÖ > 20 00 B0 69 D6 02 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x000002D669B00020, 320 bytes long.
Data: <Pr°iÖ °iÖ > 50 72 B0 69 D6 02 00 00 90 10 B0 69 D6 02 00 00
{288} normal block at 0x000002D669B06C60, 16 bytes long.
Data: < v°iÖ > 90 76 B0 69 D6 02 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x000002D669B064E0, 16 bytes long.
Data: <hv°iÖ > 68 76 B0 69 D6 02 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x000002D669B00910, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{285} normal block at 0x000002D669B07070, 16 bytes long.
Data: <@v°iÖ > 40 76 B0 69 D6 02 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x000002D669B00550, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{283} normal block at 0x000002D669B07200, 16 bytes long.
Data: < u°iÖ > 88 75 B0 69 D6 02 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x000002D669B06FD0, 16 bytes long.
Data: <`u°iÖ > 60 75 B0 69 D6 02 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x000002D669B06DF0, 16 bytes long.
Data: <8u°iÖ > 38 75 B0 69 D6 02 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x000002D669B06620, 16 bytes long.
Data: < u°iÖ > 10 75 B0 69 D6 02 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x000002D669B07340, 16 bytes long.
Data: < t°iÖ > E8 74 B0 69 D6 02 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x000002D669B073E0, 16 bytes long.
Data: <Àt°iÖ > C0 74 B0 69 D6 02 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x000002D669B07020, 16 bytes long.
Data: < °iÖ > 10 15 B0 69 D6 02 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x000002D669B01510, 40 bytes long.
Data: < p°iÖ 0 ¨kÖ > 20 70 B0 69 D6 02 00 00 30 8A A8 6B D6 02 00 00
{274} normal block at 0x000002D669B06670, 16 bytes long.
Data: < t°iÖ > A0 74 B0 69 D6 02 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x000002D669B071B0, 16 bytes long.
Data: <xt°iÖ > 78 74 B0 69 D6 02 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x000002D669B01030, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{271} normal block at 0x000002D669B07110, 16 bytes long.
Data: <Pt°iÖ > 50 74 B0 69 D6 02 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x000002D669B07450, 992 bytes long.
Data: < q°iÖ 0 °iÖ > 10 71 B0 69 D6 02 00 00 30 10 B0 69 D6 02 00 00
{106} normal block at 0x000002D669B010F0, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{105} normal block at 0x000002D669AFDF70, 16 bytes long.
Data: < °iÖ > A0 14 B0 69 D6 02 00 00 00 00 00 00 00 00 00 00
{104} normal block at 0x000002D669B014A0, 40 bytes long.
Data: <p߯iÖ °iÖ > 70 DF AF 69 D6 02 00 00 F0 10 B0 69 D6 02 00 00
{81} normal block at 0x000002D669AFEE20, 16 bytes long.
Data: < -Ê > 80 EA 2D CA F7 7F 00 00 00 00 00 00 00 00 00 00
{80} normal block at 0x000002D669AFEE70, 16 bytes long.
Data: <@ -Ê > 40 E9 2D CA F7 7F 00 00 00 00 00 00 00 00 00 00
{79} normal block at 0x000002D669AFE6F0, 16 bytes long.
Data: < W*Ê > F8 57 2A CA F7 7F 00 00 00 00 00 00 00 00 00 00
{78} normal block at 0x000002D669AFE010, 16 bytes long.
Data: <ØW*Ê > D8 57 2A CA F7 7F 00 00 00 00 00 00 00 00 00 00
{77} normal block at 0x000002D669AFE6A0, 16 bytes long.
Data: <P *Ê > 50 04 2A CA F7 7F 00 00 00 00 00 00 00 00 00 00
{76} normal block at 0x000002D669AFEA10, 16 bytes long.
Data: <0 *Ê > 30 04 2A CA F7 7F 00 00 00 00 00 00 00 00 00 00
{75} normal block at 0x000002D669AFE600, 16 bytes long.
Data: < *Ê > E0 02 2A CA F7 7F 00 00 00 00 00 00 00 00 00 00
{74} normal block at 0x000002D669AFE920, 16 bytes long.
Data: < *Ê > 10 04 2A CA F7 7F 00 00 00 00 00 00 00 00 00 00
{73} normal block at 0x000002D669AFE9C0, 16 bytes long.
Data: <p *Ê > 70 04 2A CA F7 7F 00 00 00 00 00 00 00 00 00 00
{72} normal block at 0x000002D669AFE650, 16 bytes long.
Data: < À(Ê > 18 C0 28 CA F7 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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