Task 38681348

Name test_395-GPUGRID_TEST_ATM_40STEP_20261023-33-40-RND6872_0
Workunit 31623017
Created 27 Oct 2026, 3:36:16 UTC
Sent 27 Oct 2026, 3:36:26 UTC
Report deadline 1 Nov 2026, 3:36:26 UTC
Received 27 Oct 2026, 4:35:48 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 523908
Run time 29 min 5 sec
CPU time 27 min 28 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 56,279.60 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 739.71 MB
Peak swap size 13.04 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.9</core_client_version>
<![CDATA[
<stderr_txt>
05:06:44 (11740): wrapper (7.9.26016): starting
05:06:44 (11740): 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
05:06:45 (11740): Library/usr/bin/tar.exe exited; CPU time 0.000000
05:06:45 (11740): 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\3\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\3\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
05:35:10 (11740): C:/Windows/system32/cmd.exe exited; CPU time 1648.687500
05:35:10 (11740): 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: 22387389 bytes.
Dumping objects ->
{3835235} normal block at 0x0000021288AFCD60, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835224} normal block at 0x0000021288AFD230, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835213} normal block at 0x0000021288AFD1C0, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835202} normal block at 0x0000021288AFD380, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835191} normal block at 0x0000021286E44C70, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835160} normal block at 0x0000021288B46E00, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835149} normal block at 0x0000021288B5EFF0, 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) : {3835146} normal block at 0x0000021286E3E8B0, 8 bytes long.
 Data: <  &#222;&#134;    > 00 00 DE 86 12 02 00 00 
{3834542} normal block at 0x0000021288B5ED30, 102 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833961} normal block at 0x0000021286E3F670, 8 bytes long.
 Data: <&#176;1&#186;     > B0 31 BA 88 12 02 00 00 
..\zip\boinc_zip.cpp(122) : {312} normal block at 0x0000021286E40D80, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x0000021286E36A00, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{296} normal block at 0x0000021286E45DB0, 16 bytes long.
 Data: < f&#228;&#134;            > 98 66 E4 86 12 02 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x0000021286E45860, 16 bytes long.
 Data: <pf&#228;&#134;            > 70 66 E4 86 12 02 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x0000021286E40110, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{293} normal block at 0x0000021286E45FE0, 16 bytes long.
 Data: <Hf&#228;&#134;            > 48 66 E4 86 12 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x0000021286E456D0, 16 bytes long.
 Data: < f&#228;&#134;            > 20 66 E4 86 12 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x0000021286E45B80, 16 bytes long.
 Data: <&#248;e&#228;&#134;            > F8 65 E4 86 12 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x0000021286E45D10, 16 bytes long.
 Data: <&#208;e&#228;&#134;            > D0 65 E4 86 12 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x0000021286E44D50, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{288} normal block at 0x0000021286E46030, 16 bytes long.
 Data: < &#231;&#227;&#134;            > 88 E7 E3 86 12 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x0000021286E40050, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{286} normal block at 0x0000021286E45F40, 16 bytes long.
 Data: <`&#231;&#227;&#134;            > 60 E7 E3 86 12 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x0000021286E45AE0, 16 bytes long.
 Data: <8&#231;&#227;&#134;            > 38 E7 E3 86 12 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x0000021286E45BD0, 16 bytes long.
 Data: < &#231;&#227;&#134;            > 10 E7 E3 86 12 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x0000021286E45C70, 16 bytes long.
 Data: <&#232;&#230;&#227;&#134;            > E8 E6 E3 86 12 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x0000021286E462B0, 16 bytes long.
 Data: <&#192;&#230;&#227;&#134;            > C0 E6 E3 86 12 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x0000021286E45C20, 16 bytes long.
 Data: < &#230;&#227;&#134;            > 98 E6 E3 86 12 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x0000021286E3FF90, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{278} normal block at 0x0000021286E45A90, 16 bytes long.
 Data: <p&#230;&#227;&#134;            > 70 E6 E3 86 12 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x0000021286E3E670, 320 bytes long.
 Data: < Z&#228;&#134;     &#255;&#227;&#134;    > 90 5A E4 86 12 02 00 00 90 FF E3 86 12 02 00 00 
{276} normal block at 0x0000021286E459A0, 16 bytes long.
 Data: <&#176;e&#228;&#134;            > B0 65 E4 86 12 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x0000021286E45E00, 16 bytes long.
 Data: < e&#228;&#134;            > 88 65 E4 86 12 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x0000021286E3FED0, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{273} normal block at 0x0000021286E45680, 16 bytes long.
 Data: <`e&#228;&#134;            > 60 65 E4 86 12 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x0000021286E3F930, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{271} normal block at 0x0000021286E45630, 16 bytes long.
 Data: <&#168;d&#228;&#134;            > A8 64 E4 86 12 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x0000021286E45540, 16 bytes long.
 Data: < d&#228;&#134;            > 80 64 E4 86 12 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x0000021286E45590, 16 bytes long.
 Data: <Xd&#228;&#134;            > 58 64 E4 86 12 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x0000021286E454F0, 16 bytes long.
 Data: <0d&#228;&#134;            > 30 64 E4 86 12 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x0000021286E45950, 16 bytes long.
 Data: < d&#228;&#134;            > 08 64 E4 86 12 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x0000021286E45720, 16 bytes long.
 Data: <&#224;c&#228;&#134;            > E0 63 E4 86 12 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x0000021286E457C0, 16 bytes long.
 Data: <&#160;N&#228;&#134;            > A0 4E E4 86 12 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x0000021286E44EA0, 40 bytes long.
 Data: <&#192;W&#228;&#134;     n&#180;     > C0 57 E4 86 12 02 00 00 00 6E B4 88 12 02 00 00 
{262} normal block at 0x0000021286E454A0, 16 bytes long.
 Data: <&#192;c&#228;&#134;            > C0 63 E4 86 12 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x0000021286E46170, 16 bytes long.
 Data: < c&#228;&#134;            > 98 63 E4 86 12 02 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x0000021286E400B0, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{259} normal block at 0x0000021286E45A40, 16 bytes long.
 Data: <pc&#228;&#134;            > 70 63 E4 86 12 02 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x0000021286E46370, 992 bytes long.
 Data: <@Z&#228;&#134;    &#176; &#228;&#134;    > 40 5A E4 86 12 02 00 00 B0 00 E4 86 12 02 00 00 
{94} normal block at 0x0000021286E3FFF0, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{93} normal block at 0x0000021286E3E860, 16 bytes long.
 Data: <&#224;L&#228;&#134;            > E0 4C E4 86 12 02 00 00 00 00 00 00 00 00 00 00 
{92} normal block at 0x0000021286E44CE0, 40 bytes long.
 Data: <`&#232;&#227;&#134;    &#240;&#255;&#227;&#134;    > 60 E8 E3 86 12 02 00 00 F0 FF E3 86 12 02 00 00 
{71} normal block at 0x0000021286E3EBD0, 16 bytes long.
 Data: < &#234;&#204; &#247;           > 80 EA CC 20 F7 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x0000021286E3EF40, 16 bytes long.
 Data: <@&#233;&#204; &#247;           > 40 E9 CC 20 F7 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x0000021286E3F120, 16 bytes long.
 Data: <&#248;W&#201; &#247;           > F8 57 C9 20 F7 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x0000021286E3EDB0, 16 bytes long.
 Data: <&#216;W&#201; &#247;           > D8 57 C9 20 F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x0000021286E3F2B0, 16 bytes long.
 Data: <P &#201; &#247;           > 50 04 C9 20 F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x0000021286E3F0D0, 16 bytes long.
 Data: <0 &#201; &#247;           > 30 04 C9 20 F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x0000021286E3EA40, 16 bytes long.
 Data: <&#224; &#201; &#247;           > E0 02 C9 20 F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x0000021286E3E9F0, 16 bytes long.
 Data: <  &#201; &#247;           > 10 04 C9 20 F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x0000021286E3F530, 16 bytes long.
 Data: <p &#201; &#247;           > 70 04 C9 20 F7 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x0000021286E3EB80, 16 bytes long.
 Data: < &#192;&#199; &#247;           > 18 C0 C7 20 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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