Task 38666159

Name test_560-GPUGRID_TEST_ATM_40STEP_20261023-10-40-RND3916_0
Workunit 31609176
Created 25 Oct 2026, 2:08:28 UTC
Sent 25 Oct 2026, 2:24:21 UTC
Report deadline 30 Oct 2026, 2:24:21 UTC
Received 25 Oct 2026, 4:02:05 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 441672
Run time 1 hours 15 min 50 sec
CPU time 1 hours 14 min 1 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 2,258.43 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 698.86 MB
Peak swap size 6.71 GB
Peak disk usage 3.02 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
19:46:27 (29792): wrapper (7.9.26016): starting
19:46:27 (29792): 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
19:46:28 (29792): Library/usr/bin/tar.exe exited; CPU time 0.000000
19:46:28 (29792): 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\11\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\11\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
21:01:31 (29792): C:/Windows/system32/cmd.exe exited; CPU time 4441.796875
21:01:31 (29792): called boinc_finish(0)
0 bytes in 0 Free Blocks.
646 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: 82511353 bytes.
Dumping objects ->
{3835633} normal block at 0x000002614F2355B0, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835622} normal block at 0x000002614F236420, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835611} normal block at 0x000002614F2357E0, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835600} normal block at 0x000002614D576020, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835589} normal block at 0x000002614D575FB0, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835558} normal block at 0x000002614F1DBEB0, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835547} normal block at 0x000002614F1E9010, 195 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) : {3835544} normal block at 0x000002614D56E050, 8 bytes long.
 Data: <  &#148;Ma   > 00 00 94 4D 61 02 00 00 
{3834742} normal block at 0x000002614F1EA210, 195 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833967} normal block at 0x000002614D56E460, 8 bytes long.
 Data: <P&#233; Oa   > 50 E9 1E 4F 61 02 00 00 
..\zip\boinc_zip.cpp(122) : {315} normal block at 0x000002614D572A00, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{300} normal block at 0x000002614D5670E0, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{299} normal block at 0x000002614D576850, 16 bytes long.
 Data: < xWMa           > 18 78 57 4D 61 02 00 00 00 00 00 00 00 00 00 00 
{298} normal block at 0x000002614D576F80, 16 bytes long.
 Data: <&#240;wWMa           > F0 77 57 4D 61 02 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x000002614D570F50, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{296} normal block at 0x000002614D5772F0, 16 bytes long.
 Data: <&#200;wWMa           > C8 77 57 4D 61 02 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x000002614D576D50, 16 bytes long.
 Data: <&#160;wWMa           > A0 77 57 4D 61 02 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x000002614D576E40, 16 bytes long.
 Data: <xwWMa           > 78 77 57 4D 61 02 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x000002614D576DF0, 16 bytes long.
 Data: <PwWMa           > 50 77 57 4D 61 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x000002614D575D10, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{291} normal block at 0x000002614D5772A0, 16 bytes long.
 Data: <x WMa           > 78 01 57 4D 61 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x000002614D570530, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{289} normal block at 0x000002614D577200, 16 bytes long.
 Data: <P WMa           > 50 01 57 4D 61 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x000002614D576B20, 16 bytes long.
 Data: <( WMa           > 28 01 57 4D 61 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x000002614D576BC0, 16 bytes long.
 Data: <  WMa           > 00 01 57 4D 61 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x000002614D577160, 16 bytes long.
 Data: <&#216; WMa           > D8 00 57 4D 61 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000002614D5773E0, 16 bytes long.
 Data: <&#176; WMa           > B0 00 57 4D 61 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000002614D577110, 16 bytes long.
 Data: <  WMa           > 88 00 57 4D 61 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000002614D570C50, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{281} normal block at 0x000002614D577390, 16 bytes long.
 Data: <` WMa           > 60 00 57 4D 61 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000002614D570060, 320 bytes long.
 Data: < sWMa   P WMa   > 90 73 57 4D 61 02 00 00 50 0C 57 4D 61 02 00 00 
{279} normal block at 0x000002614D577070, 16 bytes long.
 Data: <0wWMa           > 30 77 57 4D 61 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x000002614D576A80, 16 bytes long.
 Data: < wWMa           > 08 77 57 4D 61 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000002614D5703B0, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{276} normal block at 0x000002614D576C10, 16 bytes long.
 Data: <&#224;vWMa           > E0 76 57 4D 61 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000002614D571070, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{274} normal block at 0x000002614D577250, 16 bytes long.
 Data: <(vWMa           > 28 76 57 4D 61 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x000002614D576FD0, 16 bytes long.
 Data: < vWMa           > 00 76 57 4D 61 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000002614D5770C0, 16 bytes long.
 Data: <&#216;uWMa           > D8 75 57 4D 61 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x000002614D576800, 16 bytes long.
 Data: <&#176;uWMa           > B0 75 57 4D 61 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x000002614D5771B0, 16 bytes long.
 Data: < uWMa           > 88 75 57 4D 61 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000002614D576D00, 16 bytes long.
 Data: <`uWMa           > 60 75 57 4D 61 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000002614D576C60, 16 bytes long.
 Data: <pZWMa           > 70 5A 57 4D 61 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000002614D575A70, 40 bytes long.
 Data: <`lWMa   &#176;&#190; Oa   > 60 6C 57 4D 61 02 00 00 B0 BE 1D 4F 61 02 00 00 
{265} normal block at 0x000002614D576990, 16 bytes long.
 Data: <@uWMa           > 40 75 57 4D 61 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000002614D576E90, 16 bytes long.
 Data: < uWMa           > 18 75 57 4D 61 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x000002614D571010, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{262} normal block at 0x000002614D577480, 16 bytes long.
 Data: <&#240;tWMa           > F0 74 57 4D 61 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x000002614D5774F0, 992 bytes long.
 Data: < tWMa     WMa   > 80 74 57 4D 61 02 00 00 10 10 57 4D 61 02 00 00 
{97} normal block at 0x000002614D5707D0, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{96} normal block at 0x000002614D56E870, 16 bytes long.
 Data: <`^WMa           > 60 5E 57 4D 61 02 00 00 00 00 00 00 00 00 00 00 
{95} normal block at 0x000002614D575E60, 40 bytes long.
 Data: <p&#232;VMa   &#208; WMa   > 70 E8 56 4D 61 02 00 00 D0 07 57 4D 61 02 00 00 
{74} normal block at 0x000002614D56E690, 16 bytes long.
 Data: < &#234;B &#247;           > 80 EA 42 04 F7 7F 00 00 00 00 00 00 00 00 00 00 
{73} normal block at 0x000002614D56E5F0, 16 bytes long.
 Data: <@&#233;B &#247;           > 40 E9 42 04 F7 7F 00 00 00 00 00 00 00 00 00 00 
{72} normal block at 0x000002614D56E7D0, 16 bytes long.
 Data: <&#248;W? &#247;           > F8 57 3F 04 F7 7F 00 00 00 00 00 00 00 00 00 00 
{71} normal block at 0x000002614D56EA00, 16 bytes long.
 Data: <&#216;W? &#247;           > D8 57 3F 04 F7 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x000002614D56E5A0, 16 bytes long.
 Data: <P ? &#247;           > 50 04 3F 04 F7 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x000002614D56E780, 16 bytes long.
 Data: <0 ? &#247;           > 30 04 3F 04 F7 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x000002614D56E500, 16 bytes long.
 Data: <&#224; ? &#247;           > E0 02 3F 04 F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x000002614D56EC80, 16 bytes long.
 Data: <  ? &#247;           > 10 04 3F 04 F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000002614D56E000, 16 bytes long.
 Data: <p ? &#247;           > 70 04 3F 04 F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000002614D56DFB0, 16 bytes long.
 Data: < &#192;= &#247;           > 18 C0 3D 04 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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