Task 38657478
| Name | test_602-GPUGRID_TEST_ATM_2STEP_20261024-0-2-RND7175_0 |
| Workunit | 31601121 |
| Created | 24 Oct 2026, 11:42:32 UTC |
| Sent | 24 Oct 2026, 11:59:33 UTC |
| Report deadline | 29 Oct 2026, 11:59:33 UTC |
| Received | 24 Oct 2026, 12:37:19 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 631893 |
| Run time | 28 min 7 sec |
| CPU time | 26 min 11 sec |
| Validate state | Valid |
| Credit | 60,000.00 |
| Device peak FLOPS | 15,670.82 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 734.09 MB |
| Peak swap size | 9.89 GB |
| Peak disk usage | 2.97 GB |
Stderr output
<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
07:10:20 (1996): wrapper (7.9.26016): starting
07:10:20 (1996): 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
07:10:22 (1996): Library/usr/bin/tar.exe exited; CPU time 0.000000
07:10:22 (1996): 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\1\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\1\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
07:36:53 (1996): C:/Windows/system32/cmd.exe exited; CPU time 1571.968750
07:36:53 (1996): called boinc_finish(0)
0 bytes in 0 Free Blocks.
256 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: 26073849 bytes.
Dumping objects ->
{3835441} normal block at 0x0000021C503567B0, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835430} normal block at 0x0000021C503566D0, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835419} normal block at 0x0000021C50356660, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{3835408} normal block at 0x0000021C50356C80, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835397} normal block at 0x0000021C50356A50, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{3835366} normal block at 0x0000021C521A9450, 64 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
..\api\boinc_api.cpp(309) : {3835353} normal block at 0x0000021C5034EF00, 8 bytes long.
Data: < P > 00 00 80 50 1C 02 00 00
{3833965} normal block at 0x0000021C5034F400, 8 bytes long.
Data: <`ç R > 60 E7 0B 52 1C 02 00 00
..\zip\boinc_zip.cpp(122) : {314} normal block at 0x0000021C50352920, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{299} normal block at 0x0000021C50347920, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{298} normal block at 0x0000021C50357150, 16 bytes long.
Data: <x 5P > 78 80 35 50 1C 02 00 00 00 00 00 00 00 00 00 00
{297} normal block at 0x0000021C50356E30, 16 bytes long.
Data: <P 5P > 50 80 35 50 1C 02 00 00 00 00 00 00 00 00 00 00
{296} normal block at 0x0000021C503512B0, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{295} normal block at 0x0000021C503579C0, 16 bytes long.
Data: <( 5P > 28 80 35 50 1C 02 00 00 00 00 00 00 00 00 00 00
{294} normal block at 0x0000021C50357100, 16 bytes long.
Data: < 5P > 00 80 35 50 1C 02 00 00 00 00 00 00 00 00 00 00
{293} normal block at 0x0000021C50357880, 16 bytes long.
Data: <Ø 5P > D8 7F 35 50 1C 02 00 00 00 00 00 00 00 00 00 00
{292} normal block at 0x0000021C503570B0, 16 bytes long.
Data: <° 5P > B0 7F 35 50 1C 02 00 00 00 00 00 00 00 00 00 00
{291} normal block at 0x0000021C503565F0, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{290} normal block at 0x0000021C50356DE0, 16 bytes long.
Data: <xð3P > 78 F0 33 50 1C 02 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x0000021C50351250, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{288} normal block at 0x0000021C50356D90, 16 bytes long.
Data: <Pð3P > 50 F0 33 50 1C 02 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x0000021C50357740, 16 bytes long.
Data: <(ð3P > 28 F0 33 50 1C 02 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x0000021C50357650, 16 bytes long.
Data: < ð3P > 00 F0 33 50 1C 02 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x0000021C50357A60, 16 bytes long.
Data: <Øï3P > D8 EF 33 50 1C 02 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x0000021C50357600, 16 bytes long.
Data: <°ï3P > B0 EF 33 50 1C 02 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x0000021C503571F0, 16 bytes long.
Data: < ï3P > 88 EF 33 50 1C 02 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x0000021C50351C10, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{280} normal block at 0x0000021C50357C90, 16 bytes long.
Data: <`ï3P > 60 EF 33 50 1C 02 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x0000021C5033EF60, 320 bytes long.
Data: < |5P 5P > 90 7C 35 50 1C 02 00 00 10 1C 35 50 1C 02 00 00
{278} normal block at 0x0000021C50356E80, 16 bytes long.
Data: < 5P > 90 7F 35 50 1C 02 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x0000021C503576F0, 16 bytes long.
Data: <h 5P > 68 7F 35 50 1C 02 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x0000021C50350DD0, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{275} normal block at 0x0000021C50357290, 16 bytes long.
Data: <@ 5P > 40 7F 35 50 1C 02 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x0000021C50351850, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{273} normal block at 0x0000021C50357BF0, 16 bytes long.
Data: < ~5P > 88 7E 35 50 1C 02 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x0000021C50357380, 16 bytes long.
Data: <`~5P > 60 7E 35 50 1C 02 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x0000021C50356F70, 16 bytes long.
Data: <8~5P > 38 7E 35 50 1C 02 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x0000021C50357330, 16 bytes long.
Data: < ~5P > 10 7E 35 50 1C 02 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x0000021C50357CE0, 16 bytes long.
Data: <è}5P > E8 7D 35 50 1C 02 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x0000021C50357830, 16 bytes long.
Data: <À}5P > C0 7D 35 50 1C 02 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x0000021C50357060, 16 bytes long.
Data: < h5P > 20 68 35 50 1C 02 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x0000021C50356820, 40 bytes long.
Data: <`p5P P” R > 60 70 35 50 1C 02 00 00 50 94 1A 52 1C 02 00 00
{264} normal block at 0x0000021C503575B0, 16 bytes long.
Data: < }5P > A0 7D 35 50 1C 02 00 00 00 00 00 00 00 00 00 00
{263} normal block at 0x0000021C50357C40, 16 bytes long.
Data: <x}5P > 78 7D 35 50 1C 02 00 00 00 00 00 00 00 00 00 00
{262} normal block at 0x0000021C50351070, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{261} normal block at 0x0000021C50357AB0, 16 bytes long.
Data: <P}5P > 50 7D 35 50 1C 02 00 00 00 00 00 00 00 00 00 00
{260} normal block at 0x0000021C50357D50, 992 bytes long.
Data: <°z5P p 5P > B0 7A 35 50 1C 02 00 00 70 10 35 50 1C 02 00 00
{96} normal block at 0x0000021C503511F0, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{95} normal block at 0x0000021C5034EBE0, 16 bytes long.
Data: <°É3P > B0 C9 33 50 1C 02 00 00 00 00 00 00 00 00 00 00
{94} normal block at 0x0000021C5033C9B0, 40 bytes long.
Data: <àë4P ð 5P > E0 EB 34 50 1C 02 00 00 F0 11 35 50 1C 02 00 00
{73} normal block at 0x0000021C5034F860, 16 bytes long.
Data: < ê Gö > 80 EA 17 47 F6 7F 00 00 00 00 00 00 00 00 00 00
{72} normal block at 0x0000021C5034F270, 16 bytes long.
Data: <@é Gö > 40 E9 17 47 F6 7F 00 00 00 00 00 00 00 00 00 00
{71} normal block at 0x0000021C5034F310, 16 bytes long.
Data: <øW Gö > F8 57 14 47 F6 7F 00 00 00 00 00 00 00 00 00 00
{70} normal block at 0x0000021C5034F180, 16 bytes long.
Data: <ØW Gö > D8 57 14 47 F6 7F 00 00 00 00 00 00 00 00 00 00
{69} normal block at 0x0000021C5034F680, 16 bytes long.
Data: <P Gö > 50 04 14 47 F6 7F 00 00 00 00 00 00 00 00 00 00
{68} normal block at 0x0000021C5034F130, 16 bytes long.
Data: <0 Gö > 30 04 14 47 F6 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x0000021C5034EE10, 16 bytes long.
Data: <à Gö > E0 02 14 47 F6 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x0000021C5034F7C0, 16 bytes long.
Data: < Gö > 10 04 14 47 F6 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x0000021C5034F720, 16 bytes long.
Data: <p Gö > 70 04 14 47 F6 7F 00 00 00 00 00 00 00 00 00 00
{64} normal block at 0x0000021C5034EAA0, 16 bytes long.
Data: < À Gö > 18 C0 12 47 F6 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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