Task 38662040

Name test_386-GPUGRID_TEST_ATM_40STEP_20261023-5-40-RND0089_1
Workunit 31604976
Created 24 Oct 2026, 16:53:36 UTC
Sent 24 Oct 2026, 16:56:36 UTC
Report deadline 29 Oct 2026, 16:56:36 UTC
Received 25 Oct 2026, 6:13:56 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 635377
Run time 1 hours 3 min 11 sec
CPU time 59 min 54 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 16,492.58 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 723.57 MB
Peak swap size 6.90 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
18:59:06 (2428): wrapper (7.9.26016): starting
18:59:06 (2428): 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
18:59:09 (2428): Library/usr/bin/tar.exe exited; CPU time 0.000000
18:59:09 (2428): 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\10\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\10\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
19:59:59 (2428): C:/Windows/system32/cmd.exe exited; CPU time 3594.187500
19:59:59 (2428): called boinc_finish(0)
0 bytes in 0 Free Blocks.
656 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: 54716443 bytes.
Dumping objects ->
{3835638} normal block at 0x000002576997F0B0, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835627} normal block at 0x000002576997F5F0, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835616} normal block at 0x000002576997FF20, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835605} normal block at 0x000002576997FEB0, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835594} normal block at 0x0000025767E67540, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835563} normal block at 0x00000257699CB580, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835552} normal block at 0x0000025767E5ACE0, 200 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) : {3835549} normal block at 0x0000025767E5E650, 8 bytes long.
 Data: <   hW   > 00 00 16 68 57 02 00 00 
{3834745} normal block at 0x0000025767E5C440, 200 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 0x0000025767E5E5B0, 8 bytes long.
 Data: <0&#220;&#228;gW   > 30 DC E4 67 57 02 00 00 
..\zip\boinc_zip.cpp(122) : {315} normal block at 0x0000025767E61B00, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{300} normal block at 0x0000025767E56A90, 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 0x0000025767E68620, 16 bytes long.
 Data: <X&#143;&#230;gW           > 58 8F E6 67 57 02 00 00 00 00 00 00 00 00 00 00 
{298} normal block at 0x0000025767E68580, 16 bytes long.
 Data: <0&#143;&#230;gW           > 30 8F E6 67 57 02 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x0000025767E60330, 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 0x0000025767E68440, 16 bytes long.
 Data: < &#143;&#230;gW           > 08 8F E6 67 57 02 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x0000025767E68710, 16 bytes long.
 Data: <&#224;&#142;&#230;gW           > E0 8E E6 67 57 02 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x0000025767E68670, 16 bytes long.
 Data: <&#184;&#142;&#230;gW           > B8 8E E6 67 57 02 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x0000025767E67E50, 16 bytes long.
 Data: < &#142;&#230;gW           > 90 8E E6 67 57 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x0000025767E67770, 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 0x0000025767E682B0, 16 bytes long.
 Data: <H&#150;&#229;gW           > 48 96 E5 67 57 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x0000025767E602D0, 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 0x0000025767E67DB0, 16 bytes long.
 Data: < &#150;&#229;gW           > 20 96 E5 67 57 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x0000025767E67D60, 16 bytes long.
 Data: <&#248;&#149;&#229;gW           > F8 95 E5 67 57 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x0000025767E67EA0, 16 bytes long.
 Data: <&#208;&#149;&#229;gW           > D0 95 E5 67 57 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x0000025767E67D10, 16 bytes long.
 Data: <&#168;&#149;&#229;gW           > A8 95 E5 67 57 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x0000025767E68760, 16 bytes long.
 Data: < &#149;&#229;gW           > 80 95 E5 67 57 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x0000025767E67C70, 16 bytes long.
 Data: <X&#149;&#229;gW           > 58 95 E5 67 57 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x0000025767E60030, 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 0x0000025767E68030, 16 bytes long.
 Data: <0&#149;&#229;gW           > 30 95 E5 67 57 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x0000025767E59530, 320 bytes long.
 Data: <0 &#230;gW   0 &#230;gW   > 30 80 E6 67 57 02 00 00 30 00 E6 67 57 02 00 00 
{279} normal block at 0x0000025767E68530, 16 bytes long.
 Data: <p&#142;&#230;gW           > 70 8E E6 67 57 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x0000025767E68A30, 16 bytes long.
 Data: <H&#142;&#230;gW           > 48 8E E6 67 57 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x0000025767E600F0, 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 0x0000025767E683F0, 16 bytes long.
 Data: < &#142;&#230;gW           > 20 8E E6 67 57 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x0000025767E60210, 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 0x0000025767E67E00, 16 bytes long.
 Data: <h&#141;&#230;gW           > 68 8D E6 67 57 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x0000025767E684E0, 16 bytes long.
 Data: <@&#141;&#230;gW           > 40 8D E6 67 57 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x0000025767E67FE0, 16 bytes long.
 Data: < &#141;&#230;gW           > 18 8D E6 67 57 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x0000025767E68170, 16 bytes long.
 Data: <&#240;&#140;&#230;gW           > F0 8C E6 67 57 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x0000025767E68260, 16 bytes long.
 Data: <&#200;&#140;&#230;gW           > C8 8C E6 67 57 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x0000025767E68850, 16 bytes long.
 Data: <&#160;&#140;&#230;gW           > A0 8C E6 67 57 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x0000025767E68210, 16 bytes long.
 Data: < v&#230;gW           > 90 76 E6 67 57 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x0000025767E67690, 40 bytes long.
 Data: < &#130;&#230;gW    &#181;&#156;iW   > 10 82 E6 67 57 02 00 00 80 B5 9C 69 57 02 00 00 
{265} normal block at 0x0000025767E689E0, 16 bytes long.
 Data: < &#140;&#230;gW           > 80 8C E6 67 57 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x0000025767E68490, 16 bytes long.
 Data: <X&#140;&#230;gW           > 58 8C E6 67 57 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x0000025767E60090, 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 0x0000025767E685D0, 16 bytes long.
 Data: <0&#140;&#230;gW           > 30 8C E6 67 57 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x0000025767E68C30, 992 bytes long.
 Data: <&#208;&#133;&#230;gW     &#230;gW   > D0 85 E6 67 57 02 00 00 90 00 E6 67 57 02 00 00 
{97} normal block at 0x0000025767E5FF70, 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 0x0000025767E5E470, 16 bytes long.
 Data: <&#240;z&#230;gW           > F0 7A E6 67 57 02 00 00 00 00 00 00 00 00 00 00 
{95} normal block at 0x0000025767E67AF0, 40 bytes long.
 Data: <p&#228;&#229;gW   p &#229;gW   > 70 E4 E5 67 57 02 00 00 70 FF E5 67 57 02 00 00 
{74} normal block at 0x0000025767E5E600, 16 bytes long.
 Data: < &#234;&#253;>&#247;           > 80 EA FD 3E F7 7F 00 00 00 00 00 00 00 00 00 00 
{73} normal block at 0x0000025767E5E1F0, 16 bytes long.
 Data: <@&#233;&#253;>&#247;           > 40 E9 FD 3E F7 7F 00 00 00 00 00 00 00 00 00 00 
{72} normal block at 0x0000025767E5E6F0, 16 bytes long.
 Data: <&#248;W&#250;>&#247;           > F8 57 FA 3E F7 7F 00 00 00 00 00 00 00 00 00 00 
{71} normal block at 0x0000025767E5E240, 16 bytes long.
 Data: <&#216;W&#250;>&#247;           > D8 57 FA 3E F7 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x0000025767E5DB10, 16 bytes long.
 Data: <P &#250;>&#247;           > 50 04 FA 3E F7 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x0000025767E5E060, 16 bytes long.
 Data: <0 &#250;>&#247;           > 30 04 FA 3E F7 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x0000025767E5E560, 16 bytes long.
 Data: <&#224; &#250;>&#247;           > E0 02 FA 3E F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x0000025767E5E330, 16 bytes long.
 Data: <  &#250;>&#247;           > 10 04 FA 3E F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x0000025767E5DF20, 16 bytes long.
 Data: <p &#250;>&#247;           > 70 04 FA 3E F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x0000025767E5E290, 16 bytes long.
 Data: < &#192;&#248;>&#247;           > 18 C0 F8 3E F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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