Task 38686080
| Name | test_349-GPUGRID_TEST_ATM_40STEP_20261023-16-40-RND8978_1 |
| Workunit | 31627518 |
| Created | 28 Oct 2026, 0:35:19 UTC |
| Sent | 28 Oct 2026, 0:35:25 UTC |
| Report deadline | 2 Nov 2026, 0:35:25 UTC |
| Received | 28 Oct 2026, 1:42:53 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 654960 |
| Run time | 33 min 25 sec |
| CPU time | 30 min 24 sec |
| Validate state | Valid |
| Credit | 60,000.00 |
| Device peak FLOPS | 29,771.31 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 798.08 MB |
| Peak swap size | 13.01 GB |
| Peak disk usage | 3.02 GB |
Stderr output
<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
18:11:12 (40464): wrapper (7.9.26016): starting
18:11:12 (40464): 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
18:11:13 (40464): Library/usr/bin/tar.exe exited; CPU time 0.015625
18:11:13 (40464): 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\29\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\29\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
18:42:12 (40464): C:/Windows/system32/cmd.exe exited; CPU time 1824.531250
18:42:12 (40464): called boinc_finish(0)
0 bytes in 0 Free Blocks.
460 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: 45677877 bytes.
Dumping objects ->
{3835451} normal block at 0x000001B595D86BA0, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835440} normal block at 0x000001B595D865F0, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835429} normal block at 0x000001B595D86580, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{3835418} normal block at 0x000001B595D86B30, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835407} normal block at 0x000001B595D86970, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{3835376} normal block at 0x000001B597B0ACE0, 64 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835365} normal block at 0x000001B597B1F5B0, 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) : {3835362} normal block at 0x000001B595D7EE90, 8 bytes long.
Data: < #–µ > 00 00 23 96 B5 01 00 00
{3834640} normal block at 0x000001B597B1ED70, 102 bytes long.
Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65
{3833945} normal block at 0x000001B595D7FB10, 8 bytes long.
Data: < ©±—µ > A0 A9 B1 97 B5 01 00 00
..\zip\boinc_zip.cpp(122) : {304} normal block at 0x000001B595D80030, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x000001B595D75EF0, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{288} normal block at 0x000001B595D85E00, 16 bytes long.
Data: <ÈcØ•µ > C8 63 D8 95 B5 01 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x000001B595D85CC0, 16 bytes long.
Data: < cØ•µ > A0 63 D8 95 B5 01 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x000001B595D81A90, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{285} normal block at 0x000001B595D85310, 16 bytes long.
Data: <xcØ•µ > 78 63 D8 95 B5 01 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x000001B595D85720, 16 bytes long.
Data: <PcØ•µ > 50 63 D8 95 B5 01 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x000001B595D856D0, 16 bytes long.
Data: <(cØ•µ > 28 63 D8 95 B5 01 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x000001B595D85680, 16 bytes long.
Data: < cØ•µ > 00 63 D8 95 B5 01 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x000001B595D866D0, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{280} normal block at 0x000001B595D855E0, 16 bytes long.
Data: <Ø÷Ö•µ > D8 F7 D6 95 B5 01 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x000001B595D827B0, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{278} normal block at 0x000001B595D85590, 16 bytes long.
Data: <°÷Ö•µ > B0 F7 D6 95 B5 01 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x000001B595D85B80, 16 bytes long.
Data: < ÷Ö•µ > 88 F7 D6 95 B5 01 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x000001B595D850E0, 16 bytes long.
Data: <`÷Ö•µ > 60 F7 D6 95 B5 01 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x000001B595D85180, 16 bytes long.
Data: <8÷Ö•µ > 38 F7 D6 95 B5 01 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x000001B595D85630, 16 bytes long.
Data: < ÷Ö•µ > 10 F7 D6 95 B5 01 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x000001B595D854F0, 16 bytes long.
Data: <èöÖ•µ > E8 F6 D6 95 B5 01 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x000001B595D82510, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{270} normal block at 0x000001B595D854A0, 16 bytes long.
Data: <ÀöÖ•µ > C0 F6 D6 95 B5 01 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x000001B595D6F6C0, 320 bytes long.
Data: < TØ•µ %Ø•µ > A0 54 D8 95 B5 01 00 00 10 25 D8 95 B5 01 00 00
{268} normal block at 0x000001B595D85450, 16 bytes long.
Data: <àbØ•µ > E0 62 D8 95 B5 01 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x000001B595D85900, 16 bytes long.
Data: <¸bØ•µ > B8 62 D8 95 B5 01 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x000001B595D824B0, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{265} normal block at 0x000001B595D85360, 16 bytes long.
Data: < bØ•µ > 90 62 D8 95 B5 01 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x000001B595D81910, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{263} normal block at 0x000001B595D85400, 16 bytes long.
Data: <ØaØ•µ > D8 61 D8 95 B5 01 00 00 00 00 00 00 00 00 00 00
{262} normal block at 0x000001B595D853B0, 16 bytes long.
Data: <°aØ•µ > B0 61 D8 95 B5 01 00 00 00 00 00 00 00 00 00 00
{261} normal block at 0x000001B595D85BD0, 16 bytes long.
Data: < aØ•µ > 88 61 D8 95 B5 01 00 00 00 00 00 00 00 00 00 00
{260} normal block at 0x000001B595D85B30, 16 bytes long.
Data: <`aØ•µ > 60 61 D8 95 B5 01 00 00 00 00 00 00 00 00 00 00
{259} normal block at 0x000001B595D85770, 16 bytes long.
Data: <8aØ•µ > 38 61 D8 95 B5 01 00 00 00 00 00 00 00 00 00 00
{258} normal block at 0x000001B595D858B0, 16 bytes long.
Data: < aØ•µ > 10 61 D8 95 B5 01 00 00 00 00 00 00 00 00 00 00
{256} normal block at 0x000001B595D85540, 16 bytes long.
Data: <à×Ö•µ > E0 D7 D6 95 B5 01 00 00 00 00 00 00 00 00 00 00
{255} normal block at 0x000001B595D6D7E0, 40 bytes long.
Data: <@UØ•µ ର—µ > 40 55 D8 95 B5 01 00 00 E0 AC B0 97 B5 01 00 00
{254} normal block at 0x000001B595D85D60, 16 bytes long.
Data: <ð`Ø•µ > F0 60 D8 95 B5 01 00 00 00 00 00 00 00 00 00 00
{253} normal block at 0x000001B595D85DB0, 16 bytes long.
Data: <È`Ø•µ > C8 60 D8 95 B5 01 00 00 00 00 00 00 00 00 00 00
{252} normal block at 0x000001B595D82330, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{251} normal block at 0x000001B595D85FE0, 16 bytes long.
Data: < `Ø•µ > A0 60 D8 95 B5 01 00 00 00 00 00 00 00 00 00 00
{250} normal block at 0x000001B595D860A0, 992 bytes long.
Data: <à_Ø•µ 0#Ø•µ > E0 5F D8 95 B5 01 00 00 30 23 D8 95 B5 01 00 00
{86} normal block at 0x000001B595D82450, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{85} normal block at 0x000001B595D7F110, 16 bytes long.
Data: <ðËÖ•µ > F0 CB D6 95 B5 01 00 00 00 00 00 00 00 00 00 00
{84} normal block at 0x000001B595D6CBF0, 40 bytes long.
Data: < ñוµ P$Ø•µ > 10 F1 D7 95 B5 01 00 00 50 24 D8 95 B5 01 00 00
{63} normal block at 0x000001B595D7F520, 16 bytes long.
Data: < ê¥y÷ > 80 EA A5 79 F7 7F 00 00 00 00 00 00 00 00 00 00
{62} normal block at 0x000001B595D7F0C0, 16 bytes long.
Data: <@é¥y÷ > 40 E9 A5 79 F7 7F 00 00 00 00 00 00 00 00 00 00
{61} normal block at 0x000001B595D7F980, 16 bytes long.
Data: <øW¢y÷ > F8 57 A2 79 F7 7F 00 00 00 00 00 00 00 00 00 00
{60} normal block at 0x000001B595D7F480, 16 bytes long.
Data: <ØW¢y÷ > D8 57 A2 79 F7 7F 00 00 00 00 00 00 00 00 00 00
{59} normal block at 0x000001B595D7F8E0, 16 bytes long.
Data: <P ¢y÷ > 50 04 A2 79 F7 7F 00 00 00 00 00 00 00 00 00 00
{58} normal block at 0x000001B595D7FAC0, 16 bytes long.
Data: <0 ¢y÷ > 30 04 A2 79 F7 7F 00 00 00 00 00 00 00 00 00 00
{57} normal block at 0x000001B595D7F200, 16 bytes long.
Data: <à ¢y÷ > E0 02 A2 79 F7 7F 00 00 00 00 00 00 00 00 00 00
{56} normal block at 0x000001B595D7FA70, 16 bytes long.
Data: < ¢y÷ > 10 04 A2 79 F7 7F 00 00 00 00 00 00 00 00 00 00
{55} normal block at 0x000001B595D7F570, 16 bytes long.
Data: <p ¢y÷ > 70 04 A2 79 F7 7F 00 00 00 00 00 00 00 00 00 00
{54} normal block at 0x000001B595D7FA20, 16 bytes long.
Data: < À y÷ > 18 C0 A0 79 F7 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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