Task 38685580
| Name | test_634-GPUGRID_TEST_ATM_40STEP_20261023-27-40-RND7134_2 |
| Workunit | 31626714 |
| Created | 27 Oct 2026, 21:50:20 UTC |
| Sent | 27 Oct 2026, 21:50:22 UTC |
| Report deadline | 1 Nov 2026, 21:50:22 UTC |
| Received | 27 Oct 2026, 23:00:49 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 156955 |
| Run time | 35 min 7 sec |
| CPU time | 31 min 56 sec |
| Validate state | Valid |
| Credit | 60,000.00 |
| Device peak FLOPS | 22,242.34 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 704.33 MB |
| Peak swap size | 8.47 GB |
| Peak disk usage | 3.02 GB |
Stderr output
<core_client_version>7.24.1</core_client_version>
<![CDATA[
<stderr_txt>
23:26:54 (27680): wrapper (7.9.26016): starting
23:26:54 (27680): 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
23:26:55 (27680): Library/usr/bin/tar.exe exited; CPU time 0.000000
23:26:55 (27680): 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 'D:\Boinc_data\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 'D:\Boinc_data\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
00:00:12 (27680): C:/Windows/system32/cmd.exe exited; CPU time 1916.578125
00:00:12 (27680): called boinc_finish(0)
0 bytes in 0 Free Blocks.
380 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: 45723431 bytes.
Dumping objects ->
{3835307} normal block at 0x0000011EB57264F0, 48 bytes long.
Data: <PATH=D:\Boinc_da> 50 41 54 48 3D 44 3A 5C 42 6F 69 6E 63 5F 64 61
{3835296} normal block at 0x0000011EB74253B0, 32 bytes long.
Data: <HOME=D:\Boinc_da> 48 4F 4D 45 3D 44 3A 5C 42 6F 69 6E 63 5F 64 61
{3835285} normal block at 0x0000011EB7425B30, 32 bytes long.
Data: <TMP=D:\Boinc_dat> 54 4D 50 3D 44 3A 5C 42 6F 69 6E 63 5F 64 61 74
{3835274} normal block at 0x0000011EB7425170, 32 bytes long.
Data: <TEMP=D:\Boinc_da> 54 45 4D 50 3D 44 3A 5C 42 6F 69 6E 63 5F 64 61
{3835263} normal block at 0x0000011EB7425350, 32 bytes long.
Data: <TMPDIR=D:\Boinc_> 54 4D 50 44 49 52 3D 44 3A 5C 42 6F 69 6E 63 5F
{3835232} normal block at 0x0000011EB5727050, 48 bytes long.
Data: <PATH=D:\Boinc_da> 50 41 54 48 3D 44 3A 5C 42 6F 69 6E 63 5F 64 61
{3835221} normal block at 0x0000011EB73EE7C0, 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) : {3835218} normal block at 0x0000011EB56F6DD0, 8 bytes long.
Data: < cµ > 00 00 63 B5 1E 01 00 00
{3834570} normal block at 0x0000011EB73EDD70, 102 bytes long.
Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65
{3833957} normal block at 0x0000011EB56F79B0, 8 bytes long.
Data: <°ä.· > B0 E4 2E B7 1E 01 00 00
..\zip\boinc_zip.cpp(122) : {310} normal block at 0x0000011EB5701AB0, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{295} normal block at 0x0000011EB56FD690, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{294} normal block at 0x0000011EB5703130, 16 bytes long.
Data: <ØApµ > D8 41 70 B5 1E 01 00 00 00 00 00 00 00 00 00 00
{293} normal block at 0x0000011EB5703770, 16 bytes long.
Data: <°Apµ > B0 41 70 B5 1E 01 00 00 00 00 00 00 00 00 00 00
{292} normal block at 0x0000011EB56FC8D0, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{291} normal block at 0x0000011EB57039A0, 16 bytes long.
Data: < Apµ > 88 41 70 B5 1E 01 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x0000011EB5703900, 16 bytes long.
Data: <`Apµ > 60 41 70 B5 1E 01 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x0000011EB5703720, 16 bytes long.
Data: <8Apµ > 38 41 70 B5 1E 01 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x0000011EB5703270, 16 bytes long.
Data: < Apµ > 10 41 70 B5 1E 01 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x0000011EB56FDF80, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{286} normal block at 0x0000011EB57030E0, 16 bytes long.
Data: < )pµ > 88 29 70 B5 1E 01 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x0000011EB56FC390, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{284} normal block at 0x0000011EB57036D0, 16 bytes long.
Data: <`)pµ > 60 29 70 B5 1E 01 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x0000011EB5703680, 16 bytes long.
Data: <8)pµ > 38 29 70 B5 1E 01 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x0000011EB5703590, 16 bytes long.
Data: < )pµ > 10 29 70 B5 1E 01 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x0000011EB5703400, 16 bytes long.
Data: <è(pµ > E8 28 70 B5 1E 01 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x0000011EB57038B0, 16 bytes long.
Data: <À(pµ > C0 28 70 B5 1E 01 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x0000011EB5703090, 16 bytes long.
Data: < (pµ > 98 28 70 B5 1E 01 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x0000011EB56FC4B0, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{276} normal block at 0x0000011EB5702FF0, 16 bytes long.
Data: <p(pµ > 70 28 70 B5 1E 01 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x0000011EB5702870, 320 bytes long.
Data: <ð/pµ °Äoµ > F0 2F 70 B5 1E 01 00 00 B0 C4 6F B5 1E 01 00 00
{274} normal block at 0x0000011EB5702D20, 16 bytes long.
Data: <ð@pµ > F0 40 70 B5 1E 01 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x0000011EB5703630, 16 bytes long.
Data: <È@pµ > C8 40 70 B5 1E 01 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x0000011EB56FBB50, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{271} normal block at 0x0000011EB5702B90, 16 bytes long.
Data: < @pµ > A0 40 70 B5 1E 01 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x0000011EB56FBEB0, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{269} normal block at 0x0000011EB5703220, 16 bytes long.
Data: <è?pµ > E8 3F 70 B5 1E 01 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x0000011EB57034A0, 16 bytes long.
Data: <À?pµ > C0 3F 70 B5 1E 01 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x0000011EB57033B0, 16 bytes long.
Data: < ?pµ > 98 3F 70 B5 1E 01 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x0000011EB5702B40, 16 bytes long.
Data: <p?pµ > 70 3F 70 B5 1E 01 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x0000011EB57035E0, 16 bytes long.
Data: <H?pµ > 48 3F 70 B5 1E 01 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x0000011EB5702AF0, 16 bytes long.
Data: < ?pµ > 20 3F 70 B5 1E 01 00 00 00 00 00 00 00 00 00 00
{262} normal block at 0x0000011EB5703040, 16 bytes long.
Data: < ßoµ > 10 DF 6F B5 1E 01 00 00 00 00 00 00 00 00 00 00
{261} normal block at 0x0000011EB56FDF10, 40 bytes long.
Data: <@0pµ Pprµ > 40 30 70 B5 1E 01 00 00 50 70 72 B5 1E 01 00 00
{260} normal block at 0x0000011EB5702FA0, 16 bytes long.
Data: < ?pµ > 00 3F 70 B5 1E 01 00 00 00 00 00 00 00 00 00 00
{259} normal block at 0x0000011EB57037C0, 16 bytes long.
Data: <Ø>pµ > D8 3E 70 B5 1E 01 00 00 00 00 00 00 00 00 00 00
{258} normal block at 0x0000011EB56FB9D0, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{257} normal block at 0x0000011EB5702F50, 16 bytes long.
Data: <°>pµ > B0 3E 70 B5 1E 01 00 00 00 00 00 00 00 00 00 00
{256} normal block at 0x0000011EB5703EB0, 992 bytes long.
Data: <P/pµ йoµ > 50 2F 70 B5 1E 01 00 00 D0 B9 6F B5 1E 01 00 00
{92} normal block at 0x0000011EB56FBAF0, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{91} normal block at 0x0000011EB56F6CE0, 16 bytes long.
Data: < Þoµ > A0 DE 6F B5 1E 01 00 00 00 00 00 00 00 00 00 00
{90} normal block at 0x0000011EB56FDEA0, 40 bytes long.
Data: <àloµ ðºoµ > E0 6C 6F B5 1E 01 00 00 F0 BA 6F B5 1E 01 00 00
{69} normal block at 0x0000011EB56F7320, 16 bytes long.
Data: < êS‚ö > 80 EA 53 82 F6 7F 00 00 00 00 00 00 00 00 00 00
{68} normal block at 0x0000011EB56F7B40, 16 bytes long.
Data: <@éS‚ö > 40 E9 53 82 F6 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x0000011EB56F75A0, 16 bytes long.
Data: <øWP‚ö > F8 57 50 82 F6 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x0000011EB56F77D0, 16 bytes long.
Data: <ØWP‚ö > D8 57 50 82 F6 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x0000011EB56F7550, 16 bytes long.
Data: <P P‚ö > 50 04 50 82 F6 7F 00 00 00 00 00 00 00 00 00 00
{64} normal block at 0x0000011EB56F73C0, 16 bytes long.
Data: <0 P‚ö > 30 04 50 82 F6 7F 00 00 00 00 00 00 00 00 00 00
{63} normal block at 0x0000011EB56F6C40, 16 bytes long.
Data: <à P‚ö > E0 02 50 82 F6 7F 00 00 00 00 00 00 00 00 00 00
{62} normal block at 0x0000011EB56F70A0, 16 bytes long.
Data: < P‚ö > 10 04 50 82 F6 7F 00 00 00 00 00 00 00 00 00 00
{61} normal block at 0x0000011EB56F7050, 16 bytes long.
Data: <p P‚ö > 70 04 50 82 F6 7F 00 00 00 00 00 00 00 00 00 00
{60} normal block at 0x0000011EB56F6FB0, 16 bytes long.
Data: < ÀN‚ö > 18 C0 4E 82 F6 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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