Task 38689309
| Name | test_668-GPUGRID_TEST_ATM_40STEP_20261023-36-40-RND9757_0 |
| Workunit | 31630577 |
| Created | 28 Oct 2026, 20:04:36 UTC |
| Sent | 28 Oct 2026, 20:04:43 UTC |
| Report deadline | 2 Nov 2026, 20:04:43 UTC |
| Received | 28 Oct 2026, 20:34:49 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 494803 |
| Run time | 27 min 51 sec |
| CPU time | 26 min 31 sec |
| Validate state | Valid |
| Credit | 60,000.00 |
| Device peak FLOPS | 12,067.36 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 672.71 MB |
| Peak swap size | 3.80 GB |
| Peak disk usage | 3.03 GB |
Stderr output
<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
21:07:37 (13848): wrapper (7.9.26016): starting
21:07:37 (13848): 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
21:07:38 (13848): Library/usr/bin/tar.exe exited; CPU time 0.000000
21:07:38 (13848): 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 'E:\BOINC\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 'E:\BOINC\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
21:34:33 (13848): C:/Windows/system32/cmd.exe exited; CPU time 1591.453125
21:34:33 (13848): called boinc_finish(0)
0 bytes in 0 Free Blocks.
176 bytes in 6 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: 28141207 bytes.
Dumping objects ->
{3835522} normal block at 0x000001BD01D86630, 48 bytes long.
Data: <PATH=E:\BOINC\sl> 50 41 54 48 3D 45 3A 5C 42 4F 49 4E 43 5C 73 6C
{3835511} normal block at 0x000001BD038A4610, 32 bytes long.
Data: <HOME=E:\BOINC\sl> 48 4F 4D 45 3D 45 3A 5C 42 4F 49 4E 43 5C 73 6C
{3835500} normal block at 0x000001BD038A3B30, 32 bytes long.
Data: <TMP=E:\BOINC\slo> 54 4D 50 3D 45 3A 5C 42 4F 49 4E 43 5C 73 6C 6F
{3835489} normal block at 0x000001BD038A3F50, 32 bytes long.
Data: <TEMP=E:\BOINC\sl> 54 45 4D 50 3D 45 3A 5C 42 4F 49 4E 43 5C 73 6C
{3835478} normal block at 0x000001BD038A34D0, 32 bytes long.
Data: <TMPDIR=E:\BOINC\> 54 4D 50 44 49 52 3D 45 3A 5C 42 4F 49 4E 43 5C
{3835447} normal block at 0x000001BD01D85830, 48 bytes long.
Data: <PATH=E:\BOINC\sl> 50 41 54 48 3D 45 3A 5C 42 4F 49 4E 43 5C 73 6C
..\api\boinc_api.cpp(309) : {3835434} normal block at 0x000001BD01D56D60, 8 bytes long.
Data: < Ó ½ > 00 00 D3 01 BD 01 00 00
{3833955} normal block at 0x000001BD01D570D0, 8 bytes long.
Data: <À•† ½ > C0 95 86 03 BD 01 00 00
..\zip\boinc_zip.cpp(122) : {309} normal block at 0x000001BD01D61570, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{294} normal block at 0x000001BD01D45F40, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{293} normal block at 0x000001BD01D628D0, 16 bytes long.
Data: <h6Ö ½ > 68 36 D6 01 BD 01 00 00 00 00 00 00 00 00 00 00
{292} normal block at 0x000001BD01D62880, 16 bytes long.
Data: <@6Ö ½ > 40 36 D6 01 BD 01 00 00 00 00 00 00 00 00 00 00
{291} normal block at 0x000001BD01D57FE0, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{290} normal block at 0x000001BD01D63140, 16 bytes long.
Data: < 6Ö ½ > 18 36 D6 01 BD 01 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x000001BD01D63050, 16 bytes long.
Data: <ð5Ö ½ > F0 35 D6 01 BD 01 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x000001BD01D62F10, 16 bytes long.
Data: <È5Ö ½ > C8 35 D6 01 BD 01 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x000001BD01D62830, 16 bytes long.
Data: < 5Ö ½ > A0 35 D6 01 BD 01 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x000001BD01D5CA90, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{285} normal block at 0x000001BD01D62B00, 16 bytes long.
Data: <Ø^Ô ½ > D8 5E D4 01 BD 01 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x000001BD01D58220, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{283} normal block at 0x000001BD01D630F0, 16 bytes long.
Data: <°^Ô ½ > B0 5E D4 01 BD 01 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x000001BD01D62E70, 16 bytes long.
Data: < ^Ô ½ > 88 5E D4 01 BD 01 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x000001BD01D62C90, 16 bytes long.
Data: <`^Ô ½ > 60 5E D4 01 BD 01 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x000001BD01D627E0, 16 bytes long.
Data: <8^Ô ½ > 38 5E D4 01 BD 01 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x000001BD01D62FB0, 16 bytes long.
Data: < ^Ô ½ > 10 5E D4 01 BD 01 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x000001BD01D62A60, 16 bytes long.
Data: <è]Ô ½ > E8 5D D4 01 BD 01 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x000001BD01D581C0, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{275} normal block at 0x000001BD01D62F60, 16 bytes long.
Data: <À]Ô ½ > C0 5D D4 01 BD 01 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x000001BD01D45DC0, 320 bytes long.
Data: <`/Ö ½ À Õ ½ > 60 2F D6 01 BD 01 00 00 C0 81 D5 01 BD 01 00 00
{273} normal block at 0x000001BD01D62DD0, 16 bytes long.
Data: < 5Ö ½ > 80 35 D6 01 BD 01 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x000001BD01D62790, 16 bytes long.
Data: <X5Ö ½ > 58 35 D6 01 BD 01 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x000001BD01D575C0, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{270} normal block at 0x000001BD01D62BF0, 16 bytes long.
Data: <05Ö ½ > 30 35 D6 01 BD 01 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x000001BD01D57E60, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{268} normal block at 0x000001BD01D62CE0, 16 bytes long.
Data: <x4Ö ½ > 78 34 D6 01 BD 01 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x000001BD01D626A0, 16 bytes long.
Data: <P4Ö ½ > 50 34 D6 01 BD 01 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x000001BD01D63000, 16 bytes long.
Data: <(4Ö ½ > 28 34 D6 01 BD 01 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x000001BD01D62650, 16 bytes long.
Data: < 4Ö ½ > 00 34 D6 01 BD 01 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x000001BD01D62600, 16 bytes long.
Data: <Ø3Ö ½ > D8 33 D6 01 BD 01 00 00 00 00 00 00 00 00 00 00
{263} normal block at 0x000001BD01D62560, 16 bytes long.
Data: <°3Ö ½ > B0 33 D6 01 BD 01 00 00 00 00 00 00 00 00 00 00
{261} normal block at 0x000001BD01D62C40, 16 bytes long.
Data: <ÀÅÕ ½ > C0 C5 D5 01 BD 01 00 00 00 00 00 00 00 00 00 00
{260} normal block at 0x000001BD01D5C5C0, 40 bytes long.
Data: <@,Ö ½ 0XØ ½ > 40 2C D6 01 BD 01 00 00 30 58 D8 01 BD 01 00 00
{259} normal block at 0x000001BD01D62470, 16 bytes long.
Data: < 3Ö ½ > 90 33 D6 01 BD 01 00 00 00 00 00 00 00 00 00 00
{258} normal block at 0x000001BD01D62A10, 16 bytes long.
Data: <h3Ö ½ > 68 33 D6 01 BD 01 00 00 00 00 00 00 00 00 00 00
{257} normal block at 0x000001BD01D57F20, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{256} normal block at 0x000001BD01D62BA0, 16 bytes long.
Data: <@3Ö ½ > 40 33 D6 01 BD 01 00 00 00 00 00 00 00 00 00 00
{255} normal block at 0x000001BD01D63340, 992 bytes long.
Data: < +Ö ½ Õ ½ > A0 2B D6 01 BD 01 00 00 20 7F D5 01 BD 01 00 00
{91} normal block at 0x000001BD01D58160, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{90} normal block at 0x000001BD01D56E50, 16 bytes long.
Data: <pÄÕ ½ > 70 C4 D5 01 BD 01 00 00 00 00 00 00 00 00 00 00
{89} normal block at 0x000001BD01D5C470, 40 bytes long.
Data: <PnÕ ½ ` Õ ½ > 50 6E D5 01 BD 01 00 00 60 81 D5 01 BD 01 00 00
{68} normal block at 0x000001BD01D56D10, 16 bytes long.
Data: < êu ö > 80 EA 75 98 F6 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x000001BD01D56540, 16 bytes long.
Data: <@éu ö > 40 E9 75 98 F6 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x000001BD01D568B0, 16 bytes long.
Data: <øWr ö > F8 57 72 98 F6 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x000001BD01D56FE0, 16 bytes long.
Data: <ØWr ö > D8 57 72 98 F6 7F 00 00 00 00 00 00 00 00 00 00
{64} normal block at 0x000001BD01D56360, 16 bytes long.
Data: <P r ö > 50 04 72 98 F6 7F 00 00 00 00 00 00 00 00 00 00
{63} normal block at 0x000001BD01D564F0, 16 bytes long.
Data: <0 r ö > 30 04 72 98 F6 7F 00 00 00 00 00 00 00 00 00 00
{62} normal block at 0x000001BD01D57210, 16 bytes long.
Data: <à r ö > E0 02 72 98 F6 7F 00 00 00 00 00 00 00 00 00 00
{61} normal block at 0x000001BD01D56F90, 16 bytes long.
Data: < r ö > 10 04 72 98 F6 7F 00 00 00 00 00 00 00 00 00 00
{60} normal block at 0x000001BD01D572B0, 16 bytes long.
Data: <p r ö > 70 04 72 98 F6 7F 00 00 00 00 00 00 00 00 00 00
{59} normal block at 0x000001BD01D56DB0, 16 bytes long.
Data: < Àp ö > 18 C0 70 98 F6 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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