Task 38676610
| Name | test_642-GPUGRID_TEST_ATM_40STEP_20261023-27-40-RND3962_0 |
| Workunit | 31618513 |
| Created | 26 Oct 2026, 11:49:19 UTC |
| Sent | 26 Oct 2026, 11:49:37 UTC |
| Report deadline | 31 Oct 2026, 11:49:37 UTC |
| Received | 26 Oct 2026, 12:31:44 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 541192 |
| Run time | 29 min 2 sec |
| CPU time | 24 min 43 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 | 743.53 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>
13:04:17 (4064): wrapper (7.9.26016): starting
13:04:17 (4064): 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
13:04:19 (4064): Library/usr/bin/tar.exe exited; CPU time 0.000000
13:04:19 (4064): 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\11\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\11\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
13:31:16 (4064): C:/Windows/system32/cmd.exe exited; CPU time 1483.343750
13:31:16 (4064): 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: 34345716 bytes.
Dumping objects ->
{3835586} normal block at 0x00000186E31F75D0, 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 0x00000186E4F822D0, 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 0x00000186E4F83290, 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 0x00000186E4F82990, 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 0x00000186E4F82510, 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 0x00000186E31F7250, 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 0x00000186E4F4EAD0, 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 0x00000186E31EBF70, 8 bytes long.
Data: < ㆠ> 00 00 19 E3 86 01 00 00
{3834717} normal block at 0x00000186E4F4F4D0, 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 0x00000186E31EC1F0, 8 bytes long.
Data: < aùä† > 00 61 F9 E4 86 01 00 00
..\zip\boinc_zip.cpp(122) : {327} normal block at 0x00000186E31F2BA0, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{312} normal block at 0x00000186E31E6D90, 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 0x00000186E31F80B0, 16 bytes long.
Data: <8Š ㆠ> 38 8A 1F E3 86 01 00 00 00 00 00 00 00 00 00 00
{310} normal block at 0x00000186E31F7B10, 16 bytes long.
Data: < Š ㆠ> 10 8A 1F E3 86 01 00 00 00 00 00 00 00 00 00 00
{309} normal block at 0x00000186E31EFEA0, 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 0x00000186E31F8060, 16 bytes long.
Data: <è‰ ã† > E8 89 1F E3 86 01 00 00 00 00 00 00 00 00 00 00
{307} normal block at 0x00000186E31F8560, 16 bytes long.
Data: <À‰ ㆠ> C0 89 1F E3 86 01 00 00 00 00 00 00 00 00 00 00
{306} normal block at 0x00000186E31F7F70, 16 bytes long.
Data: < ‰ ㆠ> 98 89 1F E3 86 01 00 00 00 00 00 00 00 00 00 00
{305} normal block at 0x00000186E31F77F0, 16 bytes long.
Data: <p‰ ㆠ> 70 89 1F E3 86 01 00 00 00 00 00 00 00 00 00 00
{304} normal block at 0x00000186E31F7090, 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 0x00000186E31F86A0, 16 bytes long.
Data: <è« ã† > E8 AB 1E E3 86 01 00 00 00 00 00 00 00 00 00 00
{302} normal block at 0x00000186E31F0D40, 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 0x00000186E31F8010, 16 bytes long.
Data: <À« ㆠ> C0 AB 1E E3 86 01 00 00 00 00 00 00 00 00 00 00
{299} normal block at 0x00000186E31F8240, 16 bytes long.
Data: < « ㆠ> 98 AB 1E E3 86 01 00 00 00 00 00 00 00 00 00 00
{298} normal block at 0x00000186E31F8650, 16 bytes long.
Data: <p« ㆠ> 70 AB 1E E3 86 01 00 00 00 00 00 00 00 00 00 00
{297} normal block at 0x00000186E31F8150, 16 bytes long.
Data: <H« ㆠ> 48 AB 1E E3 86 01 00 00 00 00 00 00 00 00 00 00
{296} normal block at 0x00000186E31F77A0, 16 bytes long.
Data: < « ㆠ> 20 AB 1E E3 86 01 00 00 00 00 00 00 00 00 00 00
{295} normal block at 0x00000186E31F7F20, 16 bytes long.
Data: <øª ㆠ> F8 AA 1E E3 86 01 00 00 00 00 00 00 00 00 00 00
{294} normal block at 0x00000186E31F0320, 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 0x00000186E31F7BB0, 16 bytes long.
Data: <Ъ ㆠ> D0 AA 1E E3 86 01 00 00 00 00 00 00 00 00 00 00
{292} normal block at 0x00000186E31EAAD0, 320 bytes long.
Data: <°{ ㆠㆠ> B0 7B 1F E3 86 01 00 00 20 03 1F E3 86 01 00 00
{291} normal block at 0x00000186E31F7ED0, 16 bytes long.
Data: <P‰ ㆠ> 50 89 1F E3 86 01 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x00000186E31F82E0, 16 bytes long.
Data: <(‰ ㆠ> 28 89 1F E3 86 01 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x00000186E31F0B00, 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 0x00000186E31F7CF0, 16 bytes long.
Data: < ‰ ㆠ> 00 89 1F E3 86 01 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x00000186E31F0CE0, 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 0x00000186E31F7FC0, 16 bytes long.
Data: <H ㆠ> 48 88 1F E3 86 01 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x00000186E31F7B60, 16 bytes long.
Data: < ㆠ> 20 88 1F E3 86 01 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x00000186E31F7D40, 16 bytes long.
Data: <ø‡ ㆠ> F8 87 1F E3 86 01 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x00000186E31F8380, 16 bytes long.
Data: <Ї ㆠ> D0 87 1F E3 86 01 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x00000186E31F7750, 16 bytes long.
Data: <¨‡ ㆠ> A8 87 1F E3 86 01 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x00000186E31F7E80, 16 bytes long.
Data: < ‡ ㆠ> 80 87 1F E3 86 01 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x00000186E31F7C00, 16 bytes long.
Data: < p ㆠ> 20 70 1F E3 86 01 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x00000186E31F7020, 40 bytes long.
Data: < | ㆠPr ㆠ> 00 7C 1F E3 86 01 00 00 50 72 1F E3 86 01 00 00
{277} normal block at 0x00000186E31F81F0, 16 bytes long.
Data: <`‡ ㆠ> 60 87 1F E3 86 01 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x00000186E31F8600, 16 bytes long.
Data: <8‡ ㆠ> 38 87 1F E3 86 01 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x00000186E31F0AA0, 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 0x00000186E31F8420, 16 bytes long.
Data: < ‡ ㆠ> 10 87 1F E3 86 01 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x00000186E31F8710, 992 bytes long.
Data: < „ ㆠ  ㆠ> 20 84 1F E3 86 01 00 00 A0 0A 1F E3 86 01 00 00
{109} normal block at 0x00000186E31F01A0, 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 0x00000186E31EC6F0, 16 bytes long.
Data: < Þ ã† > 90 DE 1D E3 86 01 00 00 00 00 00 00 00 00 00 00
{107} normal block at 0x00000186E31DDE90, 40 bytes long.
Data: <ðÆ ã†   ㆠ> F0 C6 1E E3 86 01 00 00 A0 01 1F E3 86 01 00 00
{86} normal block at 0x00000186E31EC970, 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 0x00000186E31EBF20, 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 0x00000186E31EC600, 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 0x00000186E31EC7E0, 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 0x00000186E31ECDD0, 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 0x00000186E31EBE80, 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 0x00000186E31EC240, 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 0x00000186E31EBED0, 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 0x00000186E31EC330, 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 0x00000186E31ECAB0, 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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