Task 38686174

Name test_252-GPUGRID_TEST_ATM_40STEP_20261023-8-40-RND4287_0
Workunit 31627612
Created 28 Oct 2026, 1:06:21 UTC
Sent 28 Oct 2026, 1:06:23 UTC
Report deadline 2 Nov 2026, 1:06:23 UTC
Received 28 Oct 2026, 2:05:21 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 495923
Run time 33 min 3 sec
CPU time 31 min 53 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 31,792.68 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 746.23 MB
Peak swap size 9.95 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
20:32:54 (43184): wrapper (7.9.26016): starting
20:32:54 (43184): 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
20:32:55 (43184): Library/usr/bin/tar.exe exited; CPU time 0.000000
20:32:55 (43184): 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
21:05:03 (43184): C:/Windows/system32/cmd.exe exited; CPU time 1913.328125
21:05:03 (43184): 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: 48027093 bytes.
Dumping objects ->
{3835236} normal block at 0x000002B8FBF70840, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835225} normal block at 0x000002B8FBF71410, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835214} normal block at 0x000002B8FBF71330, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835203} normal block at 0x000002B8FBF71020, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835192} normal block at 0x000002B8FBF70E60, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835161} normal block at 0x000002B8FC06B020, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835150} normal block at 0x000002B8FC082470, 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) : {3835147} normal block at 0x000002B8FA3AD750, 8 bytes long.
 Data: <  3&#250;&#184;   > 00 00 33 FA B8 02 00 00 
{3834547} normal block at 0x000002B8FC082AA0, 102 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833969} normal block at 0x000002B8FA3ADDE0, 8 bytes long.
 Data: <   &#252;&#184;   > 00 88 0F FC B8 02 00 00 
..\zip\boinc_zip.cpp(122) : {316} normal block at 0x000002B8FA3B4450, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{301} normal block at 0x000002B8FA3A3540, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{300} normal block at 0x000002B8FA3B8B50, 16 bytes long.
 Data: <&#168;&#151;;&#250;&#184;           > A8 97 3B FA B8 02 00 00 00 00 00 00 00 00 00 00 
{299} normal block at 0x000002B8FA3B8F60, 16 bytes long.
 Data: < &#151;;&#250;&#184;           > 80 97 3B FA B8 02 00 00 00 00 00 00 00 00 00 00 
{298} normal block at 0x000002B8FA3B21B0, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{297} normal block at 0x000002B8FA3B8EC0, 16 bytes long.
 Data: <X&#151;;&#250;&#184;           > 58 97 3B FA B8 02 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x000002B8FA3B8E70, 16 bytes long.
 Data: <0&#151;;&#250;&#184;           > 30 97 3B FA B8 02 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x000002B8FA3B8920, 16 bytes long.
 Data: < &#151;;&#250;&#184;           > 08 97 3B FA B8 02 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x000002B8FA3B8A10, 16 bytes long.
 Data: <&#224;&#150;;&#250;&#184;           > E0 96 3B FA B8 02 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x000002B8FA3B2BE0, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{292} normal block at 0x000002B8FA3B87E0, 16 bytes long.
 Data: <x&#239;9&#250;&#184;           > 78 EF 39 FA B8 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x000002B8FA3B2450, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{290} normal block at 0x000002B8FA3B88D0, 16 bytes long.
 Data: <P&#239;9&#250;&#184;           > 50 EF 39 FA B8 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x000002B8FA3B8E20, 16 bytes long.
 Data: <(&#239;9&#250;&#184;           > 28 EF 39 FA B8 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x000002B8FA3B8BF0, 16 bytes long.
 Data: < &#239;9&#250;&#184;           > 00 EF 39 FA B8 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x000002B8FA3B8C40, 16 bytes long.
 Data: <&#216;&#238;9&#250;&#184;           > D8 EE 39 FA B8 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x000002B8FA3B86F0, 16 bytes long.
 Data: <&#176;&#238;9&#250;&#184;           > B0 EE 39 FA B8 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000002B8FA3B8D80, 16 bytes long.
 Data: < &#238;9&#250;&#184;           > 88 EE 39 FA B8 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000002B8FA3B2330, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{282} normal block at 0x000002B8FA3B9140, 16 bytes long.
 Data: <`&#238;9&#250;&#184;           > 60 EE 39 FA B8 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000002B8FA39EE60, 320 bytes long.
 Data: <@&#145;;&#250;&#184;   0#;&#250;&#184;   > 40 91 3B FA B8 02 00 00 30 23 3B FA B8 02 00 00 
{280} normal block at 0x000002B8FA3B86A0, 16 bytes long.
 Data: <&#192;&#150;;&#250;&#184;           > C0 96 3B FA B8 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000002B8FA3B8650, 16 bytes long.
 Data: < &#150;;&#250;&#184;           > 98 96 3B FA B8 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x000002B8FA3B1610, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{277} normal block at 0x000002B8FA3B84C0, 16 bytes long.
 Data: <p&#150;;&#250;&#184;           > 70 96 3B FA B8 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x000002B8FA3B1C70, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{275} normal block at 0x000002B8FA3B8B00, 16 bytes long.
 Data: <&#184;&#149;;&#250;&#184;           > B8 95 3B FA B8 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x000002B8FA3B8D30, 16 bytes long.
 Data: < &#149;;&#250;&#184;           > 90 95 3B FA B8 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x000002B8FA3B9410, 16 bytes long.
 Data: <h&#149;;&#250;&#184;           > 68 95 3B FA B8 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000002B8FA3B8DD0, 16 bytes long.
 Data: <@&#149;;&#250;&#184;           > 40 95 3B FA B8 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x000002B8FA3B8A60, 16 bytes long.
 Data: < &#149;;&#250;&#184;           > 18 95 3B FA B8 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x000002B8FA3B8CE0, 16 bytes long.
 Data: <&#240;&#148;;&#250;&#184;           > F0 94 3B FA B8 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000002B8FA3B8BA0, 16 bytes long.
 Data: < *;&#250;&#184;           > 20 2A 3B FA B8 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000002B8FA3B2A20, 40 bytes long.
 Data: <&#160;&#139;;&#250;&#184;    &#176; &#252;&#184;   > A0 8B 3B FA B8 02 00 00 20 B0 06 FC B8 02 00 00 
{266} normal block at 0x000002B8FA3B8AB0, 16 bytes long.
 Data: <&#208;&#148;;&#250;&#184;           > D0 94 3B FA B8 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x000002B8FA3B8F10, 16 bytes long.
 Data: <&#168;&#148;;&#250;&#184;           > A8 94 3B FA B8 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000002B8FA3B1AF0, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{263} normal block at 0x000002B8FA3B8830, 16 bytes long.
 Data: < &#148;;&#250;&#184;           > 80 94 3B FA B8 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x000002B8FA3B9480, 992 bytes long.
 Data: <0 ;&#250;&#184;   &#240; ;&#250;&#184;   > 30 88 3B FA B8 02 00 00 F0 1A 3B FA B8 02 00 00 
{98} normal block at 0x000002B8FA3B1790, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{97} normal block at 0x000002B8FA3AD840, 16 bytes long.
 Data: <&#192;%;&#250;&#184;           > C0 25 3B FA B8 02 00 00 00 00 00 00 00 00 00 00 
{96} normal block at 0x000002B8FA3B25C0, 40 bytes long.
 Data: <@&#216;:&#250;&#184;     ;&#250;&#184;   > 40 D8 3A FA B8 02 00 00 90 17 3B FA B8 02 00 00 
{75} normal block at 0x000002B8FA3ADC00, 16 bytes long.
 Data: < &#234;&#162;&#229;&#246;           > 80 EA A2 E5 F6 7F 00 00 00 00 00 00 00 00 00 00 
{74} normal block at 0x000002B8FA3AE420, 16 bytes long.
 Data: <@&#233;&#162;&#229;&#246;           > 40 E9 A2 E5 F6 7F 00 00 00 00 00 00 00 00 00 00 
{73} normal block at 0x000002B8FA3AD980, 16 bytes long.
 Data: <&#248;W&#159;&#229;&#246;           > F8 57 9F E5 F6 7F 00 00 00 00 00 00 00 00 00 00 
{72} normal block at 0x000002B8FA3ADAC0, 16 bytes long.
 Data: <&#216;W&#159;&#229;&#246;           > D8 57 9F E5 F6 7F 00 00 00 00 00 00 00 00 00 00 
{71} normal block at 0x000002B8FA3AD660, 16 bytes long.
 Data: <P &#159;&#229;&#246;           > 50 04 9F E5 F6 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x000002B8FA3AE470, 16 bytes long.
 Data: <0 &#159;&#229;&#246;           > 30 04 9F E5 F6 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x000002B8FA3ADCF0, 16 bytes long.
 Data: <&#224; &#159;&#229;&#246;           > E0 02 9F E5 F6 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x000002B8FA3ADBB0, 16 bytes long.
 Data: <  &#159;&#229;&#246;           > 10 04 9F E5 F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x000002B8FA3AE060, 16 bytes long.
 Data: <p &#159;&#229;&#246;           > 70 04 9F E5 F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000002B8FA3ADED0, 16 bytes long.
 Data: < &#192; &#229;&#246;           > 18 C0 9D E5 F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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