Task 38665816
| Name | test_310-GPUGRID_TEST_ATM_40STEP_20261023-3-40-RND6075_1 |
| Workunit | 31598611 |
| Created | 25 Oct 2026, 1:36:33 UTC |
| Sent | 25 Oct 2026, 1:57:07 UTC |
| Report deadline | 30 Oct 2026, 1:57:07 UTC |
| Received | 25 Oct 2026, 7:37:16 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 648841 |
| Run time | 17 min 23 sec |
| CPU time | 16 min 11 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 | 762.77 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>
08:19:54 (49296): wrapper (7.9.26016): starting
08:19:54 (49296): 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
08:19:55 (49296): Library/usr/bin/tar.exe exited; CPU time 0.000000
08:19:55 (49296): 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
08:36:38 (49296): C:/Windows/system32/cmd.exe exited; CPU time 971.250000
08:36:38 (49296): 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: 25305269 bytes.
Dumping objects ->
{3835552} normal block at 0x000001AE7E50CD60, 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 0x000001AE7E50CBA0, 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 0x000001AE7C7C4C70, 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 0x000001AE7C7C4C00, 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 0x000001AE7C7C4B20, 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 0x000001AE7E554020, 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 0x000001AE7E56F370, 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 0x000001AE7C7BF880, 8 bytes long.
Data: < Æ|® > 00 00 C6 7C AE 01 00 00
{3834688} normal block at 0x000001AE7E56EC90, 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 0x000001AE7C7BEA70, 8 bytes long.
Data: <°ãF~® > B0 E3 46 7E AE 01 00 00
..\zip\boinc_zip.cpp(122) : {313} normal block at 0x000001AE7C7C1440, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{298} normal block at 0x000001AE7C7B6440, 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 0x000001AE7C7C63D0, 16 bytes long.
Data: <Xh||® > 58 68 7C 7C AE 01 00 00 00 00 00 00 00 00 00 00
{296} normal block at 0x000001AE7C7C5610, 16 bytes long.
Data: <0h||® > 30 68 7C 7C AE 01 00 00 00 00 00 00 00 00 00 00
{295} normal block at 0x000001AE7C7BFAF0, 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 0x000001AE7C7C5750, 16 bytes long.
Data: < h||® > 08 68 7C 7C AE 01 00 00 00 00 00 00 00 00 00 00
{293} normal block at 0x000001AE7C7C6100, 16 bytes long.
Data: <àg||® > E0 67 7C 7C AE 01 00 00 00 00 00 00 00 00 00 00
{292} normal block at 0x000001AE7C7C6380, 16 bytes long.
Data: <¸g||® > B8 67 7C 7C AE 01 00 00 00 00 00 00 00 00 00 00
{291} normal block at 0x000001AE7C7C55C0, 16 bytes long.
Data: < g||® > 90 67 7C 7C AE 01 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x000001AE7C7C4E30, 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 0x000001AE7C7C5C50, 16 bytes long.
Data: < ·z|® > 08 B7 7A 7C AE 01 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x000001AE7C7C05D0, 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 0x000001AE7C7C5CA0, 16 bytes long.
Data: <à¶z|® > E0 B6 7A 7C AE 01 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x000001AE7C7C60B0, 16 bytes long.
Data: <¸¶z|® > B8 B6 7A 7C AE 01 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x000001AE7C7C61F0, 16 bytes long.
Data: < ¶z|® > 90 B6 7A 7C AE 01 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x000001AE7C7C5570, 16 bytes long.
Data: <h¶z|® > 68 B6 7A 7C AE 01 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x000001AE7C7C56B0, 16 bytes long.
Data: <@¶z|® > 40 B6 7A 7C AE 01 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x000001AE7C7C5840, 16 bytes long.
Data: < ¶z|® > 18 B6 7A 7C AE 01 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x000001AE7C7BFC70, 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 0x000001AE7C7C6330, 16 bytes long.
Data: <ðµz|® > F0 B5 7A 7C AE 01 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x000001AE7C7AB5F0, 320 bytes long.
Data: <0c||® pü{|® > 30 63 7C 7C AE 01 00 00 70 FC 7B 7C AE 01 00 00
{277} normal block at 0x000001AE7C7C6060, 16 bytes long.
Data: <pg||® > 70 67 7C 7C AE 01 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x000001AE7C7C62E0, 16 bytes long.
Data: <Hg||® > 48 67 7C 7C AE 01 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x000001AE7C7BFD30, 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 0x000001AE7C7C5D90, 16 bytes long.
Data: < g||® > 20 67 7C 7C AE 01 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x000001AE7C7BFFD0, 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 0x000001AE7C7C61A0, 16 bytes long.
Data: <hf||® > 68 66 7C 7C AE 01 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x000001AE7C7C6290, 16 bytes long.
Data: <@f||® > 40 66 7C 7C AE 01 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x000001AE7C7C5B10, 16 bytes long.
Data: < f||® > 18 66 7C 7C AE 01 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x000001AE7C7C6010, 16 bytes long.
Data: <ðe||® > F0 65 7C 7C AE 01 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x000001AE7C7C64C0, 16 bytes long.
Data: <Èe||® > C8 65 7C 7C AE 01 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x000001AE7C7C5DE0, 16 bytes long.
Data: < e||® > A0 65 7C 7C AE 01 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x000001AE7C7C6240, 16 bytes long.
Data: <PM||® > 50 4D 7C 7C AE 01 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x000001AE7C7C4D50, 40 bytes long.
Data: <@b||® @U~® > 40 62 7C 7C AE 01 00 00 20 40 55 7E AE 01 00 00
{263} normal block at 0x000001AE7C7C5FC0, 16 bytes long.
Data: < e||® > 80 65 7C 7C AE 01 00 00 00 00 00 00 00 00 00 00
{262} normal block at 0x000001AE7C7C6470, 16 bytes long.
Data: <Xe||® > 58 65 7C 7C AE 01 00 00 00 00 00 00 00 00 00 00
{261} normal block at 0x000001AE7C7C0570, 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 0x000001AE7C7C5E30, 16 bytes long.
Data: <0e||® > 30 65 7C 7C AE 01 00 00 00 00 00 00 00 00 00 00
{259} normal block at 0x000001AE7C7C6530, 992 bytes long.
Data: <0^||® p ||® > 30 5E 7C 7C AE 01 00 00 70 05 7C 7C AE 01 00 00
{95} normal block at 0x000001AE7C7BFA90, 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 0x000001AE7C7BEBB0, 16 bytes long.
Data: < Ãz|® > 10 C3 7A 7C AE 01 00 00 00 00 00 00 00 00 00 00
{93} normal block at 0x000001AE7C7AC310, 40 bytes long.
Data: <°ë{|® ú{|® > B0 EB 7B 7C AE 01 00 00 90 FA 7B 7C AE 01 00 00
{72} normal block at 0x000001AE7C7BEF70, 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 0x000001AE7C7BF1F0, 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 0x000001AE7C7BF6F0, 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 0x000001AE7C7BF920, 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 0x000001AE7C7BF470, 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 0x000001AE7C7BF5B0, 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 0x000001AE7C7BF970, 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 0x000001AE7C7BECA0, 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 0x000001AE7C7BF3D0, 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 0x000001AE7C7BF2E0, 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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