Task 38653713
| Name | test_546-GPUGRID_TEST_ATM_40STEP_20261023-1-40-RND0521_3 |
| Workunit | 31596657 |
| Created | 24 Oct 2026, 6:03:53 UTC |
| Sent | 24 Oct 2026, 6:11:23 UTC |
| Report deadline | 29 Oct 2026, 6:11:23 UTC |
| Received | 24 Oct 2026, 7:17:17 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 648841 |
| Run time | 16 min 23 sec |
| CPU time | 15 min 39 sec |
| Validate state | Valid |
| Credit | 60,000.00 |
| Device peak FLOPS | 58,709.55 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 763.85 MB |
| Peak swap size | 13.06 GB |
| Peak disk usage | 3.03 GB |
Stderr output
<core_client_version>8.2.8</core_client_version>
<![CDATA[
<stderr_txt>
09:00:59 (42456): wrapper (7.9.26016): starting
09:00:59 (42456): 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
09:01:00 (42456): Library/usr/bin/tar.exe exited; CPU time 0.000000
09:01:00 (42456): 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\0\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\0\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
09:16:45 (42456): C:/Windows/system32/cmd.exe exited; CPU time 939.500000
09:16:45 (42456): 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: 23126139 bytes.
Dumping objects ->
{3835552} normal block at 0x00000192AABFD000, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835541} normal block at 0x00000192AABFD310, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835530} normal block at 0x00000192A8F24C10, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{3835519} normal block at 0x00000192A8F24BA0, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835508} normal block at 0x00000192A8F24970, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{3835477} normal block at 0x00000192AAC491F0, 64 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835466} normal block at 0x00000192AAC5ED40, 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) : {3835463} normal block at 0x00000192A8F1EEE0, 8 bytes long.
Data: < 晴 > 00 00 EF A8 92 01 00 00
{3834688} normal block at 0x00000192AAC5F160, 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 0x00000192A8F1EA80, 8 bytes long.
Data: <0ßŪ’ > 30 DF C5 AA 92 01 00 00
..\zip\boinc_zip.cpp(122) : {313} normal block at 0x00000192A8F216D0, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{298} normal block at 0x00000192A8F167C0, 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 0x00000192A8F257B0, 16 bytes long.
Data: <hhò¨’ > 68 68 F2 A8 92 01 00 00 00 00 00 00 00 00 00 00
{296} normal block at 0x00000192A8F255D0, 16 bytes long.
Data: <@hò¨’ > 40 68 F2 A8 92 01 00 00 00 00 00 00 00 00 00 00
{295} normal block at 0x00000192A8F1FBC0, 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 0x00000192A8F25A30, 16 bytes long.
Data: < hò¨’ > 18 68 F2 A8 92 01 00 00 00 00 00 00 00 00 00 00
{293} normal block at 0x00000192A8F25C10, 16 bytes long.
Data: <ðgò¨’ > F0 67 F2 A8 92 01 00 00 00 00 00 00 00 00 00 00
{292} normal block at 0x00000192A8F264D0, 16 bytes long.
Data: <Ègò¨’ > C8 67 F2 A8 92 01 00 00 00 00 00 00 00 00 00 00
{291} normal block at 0x00000192A8F263E0, 16 bytes long.
Data: < gò¨’ > A0 67 F2 A8 92 01 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x00000192A8F24DD0, 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 0x00000192A8F262A0, 16 bytes long.
Data: < ·ð¨’ > 08 B7 F0 A8 92 01 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x00000192A8F20160, 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 0x00000192A8F25580, 16 bytes long.
Data: <à¶ð¨’ > E0 B6 F0 A8 92 01 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x00000192A8F26020, 16 bytes long.
Data: <¸¶ð¨’ > B8 B6 F0 A8 92 01 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x00000192A8F25B20, 16 bytes long.
Data: < ¶ð¨’ > 90 B6 F0 A8 92 01 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x00000192A8F25990, 16 bytes long.
Data: <h¶ð¨’ > 68 B6 F0 A8 92 01 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x00000192A8F261B0, 16 bytes long.
Data: <@¶ð¨’ > 40 B6 F0 A8 92 01 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x00000192A8F25DF0, 16 bytes long.
Data: < ¶ð¨’ > 18 B6 F0 A8 92 01 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x00000192A8F20700, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{279} normal block at 0x00000192A8F256C0, 16 bytes long.
Data: <ðµð¨’ > F0 B5 F0 A8 92 01 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x00000192A8F0B5F0, 320 bytes long.
Data: <ÀVò¨’ ò¨’ > C0 56 F2 A8 92 01 00 00 00 07 F2 A8 92 01 00 00
{277} normal block at 0x00000192A8F25E90, 16 bytes long.
Data: < gò¨’ > 80 67 F2 A8 92 01 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x00000192A8F26480, 16 bytes long.
Data: <Xgò¨’ > 58 67 F2 A8 92 01 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x00000192A8F20280, 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 0x00000192A8F25AD0, 16 bytes long.
Data: <0gò¨’ > 30 67 F2 A8 92 01 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x00000192A8F1FB60, 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 0x00000192A8F25A80, 16 bytes long.
Data: <xfò¨’ > 78 66 F2 A8 92 01 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x00000192A8F26200, 16 bytes long.
Data: <Pfò¨’ > 50 66 F2 A8 92 01 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x00000192A8F26430, 16 bytes long.
Data: <(fò¨’ > 28 66 F2 A8 92 01 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x00000192A8F26070, 16 bytes long.
Data: < fò¨’ > 00 66 F2 A8 92 01 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x00000192A8F25FD0, 16 bytes long.
Data: <Øeò¨’ > D8 65 F2 A8 92 01 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x00000192A8F260C0, 16 bytes long.
Data: <°eò¨’ > B0 65 F2 A8 92 01 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x00000192A8F259E0, 16 bytes long.
Data: <@Nò¨’ > 40 4E F2 A8 92 01 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x00000192A8F24E40, 40 bytes long.
Data: <àYò¨’ ð‘Ī’ > E0 59 F2 A8 92 01 00 00 F0 91 C4 AA 92 01 00 00
{263} normal block at 0x00000192A8F25760, 16 bytes long.
Data: < eò¨’ > 90 65 F2 A8 92 01 00 00 00 00 00 00 00 00 00 00
{262} normal block at 0x00000192A8F25620, 16 bytes long.
Data: <heò¨’ > 68 65 F2 A8 92 01 00 00 00 00 00 00 00 00 00 00
{261} normal block at 0x00000192A8F1FC80, 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 0x00000192A8F26160, 16 bytes long.
Data: <@eò¨’ > 40 65 F2 A8 92 01 00 00 00 00 00 00 00 00 00 00
{259} normal block at 0x00000192A8F26540, 992 bytes long.
Data: <`aò¨’ üñ¨’ > 60 61 F2 A8 92 01 00 00 80 FC F1 A8 92 01 00 00
{95} normal block at 0x00000192A8F20040, 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 0x00000192A8F1EA30, 16 bytes long.
Data: <°ð𨒠> B0 F0 F0 A8 92 01 00 00 00 00 00 00 00 00 00 00
{93} normal block at 0x00000192A8F0F0B0, 40 bytes long.
Data: <0êñ¨’ @ ò¨’ > 30 EA F1 A8 92 01 00 00 40 00 F2 A8 92 01 00 00
{72} normal block at 0x00000192A8F1EF80, 16 bytes long.
Data: < ê¡ñ÷ > 80 EA A1 F1 F7 7F 00 00 00 00 00 00 00 00 00 00
{71} normal block at 0x00000192A8F1EBC0, 16 bytes long.
Data: <@é¡ñ÷ > 40 E9 A1 F1 F7 7F 00 00 00 00 00 00 00 00 00 00
{70} normal block at 0x00000192A8F1F020, 16 bytes long.
Data: <øWžñ÷ > F8 57 9E F1 F7 7F 00 00 00 00 00 00 00 00 00 00
{69} normal block at 0x00000192A8F1EB70, 16 bytes long.
Data: <ØWžñ÷ > D8 57 9E F1 F7 7F 00 00 00 00 00 00 00 00 00 00
{68} normal block at 0x00000192A8F1F070, 16 bytes long.
Data: <P žñ÷ > 50 04 9E F1 F7 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x00000192A8F1F8E0, 16 bytes long.
Data: <0 žñ÷ > 30 04 9E F1 F7 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x00000192A8F1F2F0, 16 bytes long.
Data: <à žñ÷ > E0 02 9E F1 F7 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x00000192A8F1F5C0, 16 bytes long.
Data: < žñ÷ > 10 04 9E F1 F7 7F 00 00 00 00 00 00 00 00 00 00
{64} normal block at 0x00000192A8F1EE90, 16 bytes long.
Data: <p žñ÷ > 70 04 9E F1 F7 7F 00 00 00 00 00 00 00 00 00 00
{63} normal block at 0x00000192A8F1EC10, 16 bytes long.
Data: < Àœñ÷ > 18 C0 9C F1 F7 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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