Task 38680774
| Name | test_776-GPUGRID_TEST_ATM_40STEP_20261023-28-40-RND7159_0 |
| Workunit | 31622474 |
| Created | 27 Oct 2026, 1:25:45 UTC |
| Sent | 27 Oct 2026, 1:25:51 UTC |
| Report deadline | 1 Nov 2026, 1:25:51 UTC |
| Received | 27 Oct 2026, 2:00:54 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 541192 |
| Run time | 31 min 31 sec |
| CPU time | 29 min 7 sec |
| Validate state | Valid |
| Credit | 60,000.00 |
| Device peak FLOPS | 52,227.63 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 742.53 MB |
| Peak swap size | 13.03 GB |
| Peak disk usage | 3.03 GB |
Stderr output
<core_client_version>8.2.8</core_client_version>
<![CDATA[
<stderr_txt>
02:30:56 (8360): wrapper (7.9.26016): starting
02:30:56 (8360): 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
02:30:58 (8360): Library/usr/bin/tar.exe exited; CPU time 0.031250
02:30:58 (8360): 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 'J:\BOINC\data\slots\9\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 'J:\BOINC\data\slots\9\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
03:00:28 (8360): C:/Windows/system32/cmd.exe exited; CPU time 1747.312500
03:00:28 (8360): called boinc_finish(0)
0 bytes in 0 Free Blocks.
346 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: 39175026 bytes.
Dumping objects ->
{3835586} normal block at 0x00000276812560C0, 48 bytes long.
Data: <PATH=J:\BOINC\da> 50 41 54 48 3D 4A 3A 5C 42 4F 49 4E 43 5C 64 61
{3835575} normal block at 0x00000276830F17A0, 32 bytes long.
Data: <HOME=J:\BOINC\da> 48 4F 4D 45 3D 4A 3A 5C 42 4F 49 4E 43 5C 64 61
{3835564} normal block at 0x00000276830F11A0, 32 bytes long.
Data: <TMP=J:\BOINC\dat> 54 4D 50 3D 4A 3A 5C 42 4F 49 4E 43 5C 64 61 74
{3835553} normal block at 0x00000276830F16E0, 32 bytes long.
Data: <TEMP=J:\BOINC\da> 54 45 4D 50 3D 4A 3A 5C 42 4F 49 4E 43 5C 64 61
{3835542} normal block at 0x00000276830F1800, 32 bytes long.
Data: <TMPDIR=J:\BOINC\> 54 4D 50 44 49 52 3D 4A 3A 5C 42 4F 49 4E 43 5C
{3835511} normal block at 0x0000027681255FE0, 48 bytes long.
Data: <PATH=J:\BOINC\da> 50 41 54 48 3D 4A 3A 5C 42 4F 49 4E 43 5C 64 61
{3835500} normal block at 0x00000276830BE390, 85 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) : {3835497} normal block at 0x000002768124BD00, 8 bytes long.
Data: < x v > 00 00 78 81 76 02 00 00
{3834717} normal block at 0x00000276830BE6B0, 85 bytes long.
Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65
{3833991} normal block at 0x000002768124BC10, 8 bytes long.
Data: <pëû‚v > 70 EB FB 82 76 02 00 00
..\zip\boinc_zip.cpp(122) : {327} normal block at 0x0000027681251DA0, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{312} normal block at 0x00000276812461A0, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{311} normal block at 0x0000027681257460, 16 bytes long.
Data: <xz% v > 78 7A 25 81 76 02 00 00 00 00 00 00 00 00 00 00
{310} normal block at 0x0000027681257280, 16 bytes long.
Data: <Pz% v > 50 7A 25 81 76 02 00 00 00 00 00 00 00 00 00 00
{309} normal block at 0x000002768124F320, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{308} normal block at 0x0000027681257690, 16 bytes long.
Data: <(z% v > 28 7A 25 81 76 02 00 00 00 00 00 00 00 00 00 00
{307} normal block at 0x0000027681256BF0, 16 bytes long.
Data: < z% v > 00 7A 25 81 76 02 00 00 00 00 00 00 00 00 00 00
{306} normal block at 0x0000027681256E70, 16 bytes long.
Data: <Øy% v > D8 79 25 81 76 02 00 00 00 00 00 00 00 00 00 00
{305} normal block at 0x00000276812572D0, 16 bytes long.
Data: <°y% v > B0 79 25 81 76 02 00 00 00 00 00 00 00 00 00 00
{304} normal block at 0x0000027681255CD0, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{303} normal block at 0x0000027681257410, 16 bytes long.
Data: < þ# v > 08 FE 23 81 76 02 00 00 00 00 00 00 00 00 00 00
{302} normal block at 0x000002768124F500, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{301} normal block at 0x00000276812575F0, 16 bytes long.
Data: <àý# v > E0 FD 23 81 76 02 00 00 00 00 00 00 00 00 00 00
{299} normal block at 0x0000027681256B00, 16 bytes long.
Data: <¸ý# v > B8 FD 23 81 76 02 00 00 00 00 00 00 00 00 00 00
{298} normal block at 0x0000027681256CE0, 16 bytes long.
Data: < ý# v > 90 FD 23 81 76 02 00 00 00 00 00 00 00 00 00 00
{297} normal block at 0x00000276812571E0, 16 bytes long.
Data: <hý# v > 68 FD 23 81 76 02 00 00 00 00 00 00 00 00 00 00
{296} normal block at 0x0000027681256EC0, 16 bytes long.
Data: <@ý# v > 40 FD 23 81 76 02 00 00 00 00 00 00 00 00 00 00
{295} normal block at 0x0000027681256DD0, 16 bytes long.
Data: < ý# v > 18 FD 23 81 76 02 00 00 00 00 00 00 00 00 00 00
{294} normal block at 0x000002768124F2C0, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{293} normal block at 0x00000276812567E0, 16 bytes long.
Data: <ðü# v > F0 FC 23 81 76 02 00 00 00 00 00 00 00 00 00 00
{292} normal block at 0x000002768123FCF0, 320 bytes long.
Data: <àg% v Àò$ v > E0 67 25 81 76 02 00 00 C0 F2 24 81 76 02 00 00
{291} normal block at 0x0000027681256B50, 16 bytes long.
Data: < y% v > 90 79 25 81 76 02 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x0000027681256BA0, 16 bytes long.
Data: <hy% v > 68 79 25 81 76 02 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x000002768124F140, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{288} normal block at 0x0000027681256AB0, 16 bytes long.
Data: <@y% v > 40 79 25 81 76 02 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x000002768124FC20, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{286} normal block at 0x0000027681257230, 16 bytes long.
Data: < x% v > 88 78 25 81 76 02 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x0000027681256F60, 16 bytes long.
Data: <`x% v > 60 78 25 81 76 02 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x0000027681256A60, 16 bytes long.
Data: <8x% v > 38 78 25 81 76 02 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x0000027681257550, 16 bytes long.
Data: < x% v > 10 78 25 81 76 02 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x00000276812568D0, 16 bytes long.
Data: <èw% v > E8 77 25 81 76 02 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x0000027681257500, 16 bytes long.
Data: <Àw% v > C0 77 25 81 76 02 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x0000027681256E20, 16 bytes long.
Data: <`\% v > 60 5C 25 81 76 02 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x0000027681255C60, 40 bytes long.
Data: < n% v à_% v > 20 6E 25 81 76 02 00 00 E0 5F 25 81 76 02 00 00
{277} normal block at 0x0000027681256C90, 16 bytes long.
Data: < w% v > A0 77 25 81 76 02 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x00000276812573C0, 16 bytes long.
Data: <xw% v > 78 77 25 81 76 02 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x000002768124FBC0, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{274} normal block at 0x00000276812570F0, 16 bytes long.
Data: <Pw% v > 50 77 25 81 76 02 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x0000027681257750, 992 bytes long.
Data: <ðp% v Àû$ v > F0 70 25 81 76 02 00 00 C0 FB 24 81 76 02 00 00
{109} normal block at 0x000002768124F740, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{108} normal block at 0x000002768124B0D0, 16 bytes long.
Data: < ú# v > 00 FA 23 81 76 02 00 00 00 00 00 00 00 00 00 00
{107} normal block at 0x000002768123FA00, 40 bytes long.
Data: <а$ v @÷$ v > D0 B0 24 81 76 02 00 00 40 F7 24 81 76 02 00 00
{86} normal block at 0x000002768124B620, 16 bytes long.
Data: < ê ¡÷ > 80 EA 8D A1 F7 7F 00 00 00 00 00 00 00 00 00 00
{85} normal block at 0x000002768124BBC0, 16 bytes long.
Data: <@é ¡÷ > 40 E9 8D A1 F7 7F 00 00 00 00 00 00 00 00 00 00
{84} normal block at 0x000002768124AFE0, 16 bytes long.
Data: <øWŠ¡÷ > F8 57 8A A1 F7 7F 00 00 00 00 00 00 00 00 00 00
{83} normal block at 0x000002768124B350, 16 bytes long.
Data: <ØWŠ¡÷ > D8 57 8A A1 F7 7F 00 00 00 00 00 00 00 00 00 00
{82} normal block at 0x000002768124B3A0, 16 bytes long.
Data: <P Š¡÷ > 50 04 8A A1 F7 7F 00 00 00 00 00 00 00 00 00 00
{81} normal block at 0x000002768124AF40, 16 bytes long.
Data: <0 Š¡÷ > 30 04 8A A1 F7 7F 00 00 00 00 00 00 00 00 00 00
{80} normal block at 0x000002768124B030, 16 bytes long.
Data: <à Š¡÷ > E0 02 8A A1 F7 7F 00 00 00 00 00 00 00 00 00 00
{79} normal block at 0x000002768124B800, 16 bytes long.
Data: < Š¡÷ > 10 04 8A A1 F7 7F 00 00 00 00 00 00 00 00 00 00
{78} normal block at 0x000002768124BB20, 16 bytes long.
Data: <p Š¡÷ > 70 04 8A A1 F7 7F 00 00 00 00 00 00 00 00 00 00
{77} normal block at 0x000002768124B710, 16 bytes long.
Data: < À ¡÷ > 18 C0 88 A1 F7 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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