Task 38673503

Name test_3-GPUGRID_TEST_ATM_40STEP_20261023-11-40-RND3824_0
Workunit 31615575
Created 26 Oct 2026, 2:35:50 UTC
Sent 26 Oct 2026, 2:35:51 UTC
Report deadline 31 Oct 2026, 2:35:51 UTC
Received 26 Oct 2026, 4:36:18 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 441672
Run time 1 hours 16 min
CPU time 1 hours 14 min 40 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 698.09 MB
Peak swap size 6.70 GB
Peak disk usage 3.02 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
20:20:10 (36064): wrapper (7.9.26016): starting
20:20:10 (36064): 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
20:20:11 (36064): Library/usr/bin/tar.exe exited; CPU time 0.000000
20:20:11 (36064): 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\18\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\18\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
21:35:41 (36064): C:/Windows/system32/cmd.exe exited; CPU time 4480.984375
21:35:41 (36064): 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: 83948187 bytes.
Dumping objects ->
{3835633} normal block at 0x0000014C872D4E80, 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 0x0000014C872D50B0, 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 0x0000014C872D4EF0, 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 0x0000014C85595A00, 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 0x0000014C85595F40, 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 0x0000014C8727AAB0, 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 0x0000014C8728A010, 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 0x0000014C8558E460, 8 bytes long.
 Data: <  &#181;&#133;L   > 00 00 B5 85 4C 01 00 00 
{3834742} normal block at 0x0000014C87289B10, 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 0x0000014C8558E0F0, 8 bytes long.
 Data: <&#240;&#231;(&#135;L   > F0 E7 28 87 4C 01 00 00 
..\zip\boinc_zip.cpp(122) : {315} normal block at 0x0000014C85592500, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{300} normal block at 0x0000014C85586D80, 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 0x0000014C85596F80, 16 bytes long.
 Data: < xY&#133;L           > 18 78 59 85 4C 01 00 00 00 00 00 00 00 00 00 00 
{298} normal block at 0x0000014C855972A0, 16 bytes long.
 Data: <&#240;wY&#133;L           > F0 77 59 85 4C 01 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x0000014C855905F0, 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 0x0000014C85596760, 16 bytes long.
 Data: <&#200;wY&#133;L           > C8 77 59 85 4C 01 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x0000014C85596B70, 16 bytes long.
 Data: <&#160;wY&#133;L           > A0 77 59 85 4C 01 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x0000014C85597160, 16 bytes long.
 Data: <xwY&#133;L           > 78 77 59 85 4C 01 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x0000014C85596620, 16 bytes long.
 Data: <PwY&#133;L           > 50 77 59 85 4C 01 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x0000014C85595D80, 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 0x0000014C85597480, 16 bytes long.
 Data: <x Y&#133;L           > 78 01 59 85 4C 01 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x0000014C85590E90, 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 0x0000014C855971B0, 16 bytes long.
 Data: <P Y&#133;L           > 50 01 59 85 4C 01 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x0000014C855970C0, 16 bytes long.
 Data: <( Y&#133;L           > 28 01 59 85 4C 01 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x0000014C85596E40, 16 bytes long.
 Data: <  Y&#133;L           > 00 01 59 85 4C 01 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x0000014C85596DF0, 16 bytes long.
 Data: <&#216; Y&#133;L           > D8 00 59 85 4C 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x0000014C85596B20, 16 bytes long.
 Data: <&#176; Y&#133;L           > B0 00 59 85 4C 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x0000014C85597250, 16 bytes long.
 Data: <  Y&#133;L           > 88 00 59 85 4C 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x0000014C85591070, 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 0x0000014C85596940, 16 bytes long.
 Data: <` Y&#133;L           > 60 00 59 85 4C 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x0000014C85590060, 320 bytes long.
 Data: <@iY&#133;L   p Y&#133;L   > 40 69 59 85 4C 01 00 00 70 10 59 85 4C 01 00 00 
{279} normal block at 0x0000014C85596DA0, 16 bytes long.
 Data: <0wY&#133;L           > 30 77 59 85 4C 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x0000014C85596AD0, 16 bytes long.
 Data: < wY&#133;L           > 08 77 59 85 4C 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x0000014C85590830, 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 0x0000014C85597110, 16 bytes long.
 Data: <&#224;vY&#133;L           > E0 76 59 85 4C 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x0000014C85590A70, 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 0x0000014C85596990, 16 bytes long.
 Data: <(vY&#133;L           > 28 76 59 85 4C 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x0000014C855973E0, 16 bytes long.
 Data: < vY&#133;L           > 00 76 59 85 4C 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x0000014C85596EE0, 16 bytes long.
 Data: <&#216;uY&#133;L           > D8 75 59 85 4C 01 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x0000014C85597070, 16 bytes long.
 Data: <&#176;uY&#133;L           > B0 75 59 85 4C 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x0000014C85597390, 16 bytes long.
 Data: < uY&#133;L           > 88 75 59 85 4C 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x0000014C855972F0, 16 bytes long.
 Data: <`uY&#133;L           > 60 75 59 85 4C 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x0000014C855968F0, 16 bytes long.
 Data: <&#176;_Y&#133;L           > B0 5F 59 85 4C 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x0000014C85595FB0, 40 bytes long.
 Data: <&#240;hY&#133;L   &#176;&#170;'&#135;L   > F0 68 59 85 4C 01 00 00 B0 AA 27 87 4C 01 00 00 
{265} normal block at 0x0000014C85596D50, 16 bytes long.
 Data: <@uY&#133;L           > 40 75 59 85 4C 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x0000014C85596D00, 16 bytes long.
 Data: < uY&#133;L           > 18 75 59 85 4C 01 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x0000014C85590B90, 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 0x0000014C85596FD0, 16 bytes long.
 Data: <&#240;tY&#133;L           > F0 74 59 85 4C 01 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x0000014C855974F0, 992 bytes long.
 Data: <&#208;oY&#133;L     Y&#133;L   > D0 6F 59 85 4C 01 00 00 90 0B 59 85 4C 01 00 00 
{97} normal block at 0x0000014C855909B0, 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 0x0000014C8558DFB0, 16 bytes long.
 Data: <&#208;^Y&#133;L           > D0 5E 59 85 4C 01 00 00 00 00 00 00 00 00 00 00 
{95} normal block at 0x0000014C85595ED0, 40 bytes long.
 Data: <&#176;&#223;X&#133;L   &#176;	Y&#133;L   > B0 DF 58 85 4C 01 00 00 B0 09 59 85 4C 01 00 00 
{74} normal block at 0x0000014C8558E5F0, 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 0x0000014C8558E410, 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 0x0000014C8558EA00, 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 0x0000014C8558E6E0, 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 0x0000014C8558E280, 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 0x0000014C8558E500, 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 0x0000014C8558DF60, 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 0x0000014C8558EB90, 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 0x0000014C8558E320, 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 0x0000014C8558E9B0, 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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