Task 38669494
| Name | test_705-GPUGRID_TEST_ATM_40STEP_20261023-11-40-RND2737_0 |
| Workunit | 31611835 |
| Created | 25 Oct 2026, 14:43:05 UTC |
| Sent | 25 Oct 2026, 14:43:07 UTC |
| Report deadline | 30 Oct 2026, 14:43:07 UTC |
| Received | 25 Oct 2026, 16:02:30 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 652152 |
| Run time | 1 hours 5 min 56 sec |
| CPU time | 57 min 42 sec |
| Validate state | Valid |
| Credit | 60,000.00 |
| Device peak FLOPS | 9,462.82 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 676.29 MB |
| Peak swap size | 5.25 GB |
| Peak disk usage | 3.03 GB |
Stderr output
<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
10:58:34 (14000): wrapper (7.9.26016): starting
10:58:34 (14000): 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
10:58:37 (14000): Library/usr/bin/tar.exe exited; CPU time 0.015625
10:58:37 (14000): 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\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 'C:\ProgramData\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
12:02:08 (14000): C:/Windows/system32/cmd.exe exited; CPU time 3462.546875
12:02:08 (14000): 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: 54256549 bytes.
Dumping objects ->
{3835310} normal block at 0x000001B4D2AC13B0, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835299} normal block at 0x000001B4D2AC1340, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835288} normal block at 0x000001B4D2AC1A40, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{3835277} normal block at 0x000001B4D2AC1E30, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835266} normal block at 0x000001B4D2AC1DC0, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{3835235} normal block at 0x000001B4D2BB5FC0, 64 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835224} normal block at 0x000001B4D2BD1090, 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) : {3835221} normal block at 0x000001B4D0F08BD0, 8 bytes long.
Data: < îд > 00 00 EE D0 B4 01 00 00
{3834583} normal block at 0x000001B4D2BD02D0, 102 bytes long.
Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65
{3833963} normal block at 0x000001B4D0F08860, 8 bytes long.
Data: <` ïд > 60 A0 EF D0 B4 01 00 00
..\zip\boinc_zip.cpp(122) : {313} normal block at 0x000001B4D0F140C0, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{298} normal block at 0x000001B4D0EFC030, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{297} normal block at 0x000001B4D0F151F0, 16 bytes long.
Data: <(ýðд > 28 FD F0 D0 B4 01 00 00 00 00 00 00 00 00 00 00
{296} normal block at 0x000001B4D0F15B50, 16 bytes long.
Data: < ýðд > 00 FD F0 D0 B4 01 00 00 00 00 00 00 00 00 00 00
{295} normal block at 0x000001B4D0F10B90, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{294} normal block at 0x000001B4D0F15EC0, 16 bytes long.
Data: <Øüðд > D8 FC F0 D0 B4 01 00 00 00 00 00 00 00 00 00 00
{293} normal block at 0x000001B4D0F15B00, 16 bytes long.
Data: <°üðд > B0 FC F0 D0 B4 01 00 00 00 00 00 00 00 00 00 00
{292} normal block at 0x000001B4D0F156A0, 16 bytes long.
Data: < üðд > 88 FC F0 D0 B4 01 00 00 00 00 00 00 00 00 00 00
{291} normal block at 0x000001B4D0F15650, 16 bytes long.
Data: <`üðд > 60 FC F0 D0 B4 01 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x000001B4D0F0DF90, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{289} normal block at 0x000001B4D0F15AB0, 16 bytes long.
Data: <¸Ðïд > B8 D0 EF D0 B4 01 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x000001B4D0F105F0, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{287} normal block at 0x000001B4D0F15A60, 16 bytes long.
Data: < Ðïд > 90 D0 EF D0 B4 01 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x000001B4D0F15D80, 16 bytes long.
Data: <hÐïд > 68 D0 EF D0 B4 01 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x000001B4D0F154C0, 16 bytes long.
Data: <@Ðïд > 40 D0 EF D0 B4 01 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x000001B4D0F15D30, 16 bytes long.
Data: < Ðïд > 18 D0 EF D0 B4 01 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x000001B4D0F15CE0, 16 bytes long.
Data: <ðÏïд > F0 CF EF D0 B4 01 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x000001B4D0F15E70, 16 bytes long.
Data: <ÈÏïд > C8 CF EF D0 B4 01 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x000001B4D0F10A10, 32 bytes long.
Data: <CUDA_DEVICE=1 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 31 00 50 55
{279} normal block at 0x000001B4D0F15920, 16 bytes long.
Data: < Ïïд > A0 CF EF D0 B4 01 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x000001B4D0EFCFA0, 320 bytes long.
Data: < Yñд ñд > 20 59 F1 D0 B4 01 00 00 10 0A F1 D0 B4 01 00 00
{277} normal block at 0x000001B4D0F15600, 16 bytes long.
Data: <@üðд > 40 FC F0 D0 B4 01 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x000001B4D0F15060, 16 bytes long.
Data: < üðд > 18 FC F0 D0 B4 01 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x000001B4D0F10890, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{274} normal block at 0x000001B4D0F15BA0, 16 bytes long.
Data: <ðûðд > F0 FB F0 D0 B4 01 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x000001B4D0F10AD0, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{272} normal block at 0x000001B4D0F15470, 16 bytes long.
Data: <8ûðд > 38 FB F0 D0 B4 01 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x000001B4D0F155B0, 16 bytes long.
Data: < ûðд > 10 FB F0 D0 B4 01 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x000001B4D0F15A10, 16 bytes long.
Data: <èúðд > E8 FA F0 D0 B4 01 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x000001B4D0F15420, 16 bytes long.
Data: <Àúðд > C0 FA F0 D0 B4 01 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x000001B4D0F153D0, 16 bytes long.
Data: < úðд > 98 FA F0 D0 B4 01 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x000001B4D0F15330, 16 bytes long.
Data: <púðд > 70 FA F0 D0 B4 01 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x000001B4D0F15C90, 16 bytes long.
Data: <Àáðд > C0 E1 F0 D0 B4 01 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x000001B4D0F0E1C0, 40 bytes long.
Data: < \ñд À_»Ò´ > 90 5C F1 D0 B4 01 00 00 C0 5F BB D2 B4 01 00 00
{263} normal block at 0x000001B4D0F151A0, 16 bytes long.
Data: <Púðд > 50 FA F0 D0 B4 01 00 00 00 00 00 00 00 00 00 00
{262} normal block at 0x000001B4D0F158D0, 16 bytes long.
Data: <(úðд > 28 FA F0 D0 B4 01 00 00 00 00 00 00 00 00 00 00
{261} normal block at 0x000001B4D0F10590, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{260} normal block at 0x000001B4D0F15880, 16 bytes long.
Data: < úðд > 00 FA F0 D0 B4 01 00 00 00 00 00 00 00 00 00 00
{259} normal block at 0x000001B4D0F0FA00, 992 bytes long.
Data: < Xñд ñд > 80 58 F1 D0 B4 01 00 00 90 05 F1 D0 B4 01 00 00
{95} normal block at 0x000001B4D0F10710, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{94} normal block at 0x000001B4D0F08F40, 16 bytes long.
Data: <°Þðд > B0 DE F0 D0 B4 01 00 00 00 00 00 00 00 00 00 00
{93} normal block at 0x000001B4D0F0DEB0, 40 bytes long.
Data: <@ ðд ñд > 40 8F F0 D0 B4 01 00 00 10 07 F1 D0 B4 01 00 00
{72} normal block at 0x000001B4D0F09030, 16 bytes long.
Data: < ê”Uö > 80 EA 94 55 F6 7F 00 00 00 00 00 00 00 00 00 00
{71} normal block at 0x000001B4D0F093A0, 16 bytes long.
Data: <@é”Uö > 40 E9 94 55 F6 7F 00 00 00 00 00 00 00 00 00 00
{70} normal block at 0x000001B4D0F08C70, 16 bytes long.
Data: <øW‘Uö > F8 57 91 55 F6 7F 00 00 00 00 00 00 00 00 00 00
{69} normal block at 0x000001B4D0F08810, 16 bytes long.
Data: <ØW‘Uö > D8 57 91 55 F6 7F 00 00 00 00 00 00 00 00 00 00
{68} normal block at 0x000001B4D0F08DB0, 16 bytes long.
Data: <P ‘Uö > 50 04 91 55 F6 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x000001B4D0F08B80, 16 bytes long.
Data: <0 ‘Uö > 30 04 91 55 F6 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x000001B4D0F08C20, 16 bytes long.
Data: <à ‘Uö > E0 02 91 55 F6 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x000001B4D0F08A90, 16 bytes long.
Data: < ‘Uö > 10 04 91 55 F6 7F 00 00 00 00 00 00 00 00 00 00
{64} normal block at 0x000001B4D0F089A0, 16 bytes long.
Data: <p ‘Uö > 70 04 91 55 F6 7F 00 00 00 00 00 00 00 00 00 00
{63} normal block at 0x000001B4D0F08770, 16 bytes long.
Data: < À Uö > 18 C0 8F 55 F6 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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