Task 38667079

Name test_346-GPUGRID_TEST_ATM_40STEP_20261023-9-40-RND7002_1
Workunit 31609756
Created 25 Oct 2026, 6:15:09 UTC
Sent 25 Oct 2026, 6:15:15 UTC
Report deadline 30 Oct 2026, 6:15:15 UTC
Received 25 Oct 2026, 6:50:45 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 616901
Run time 34 min 21 sec
CPU time 30 min 25 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 24,398.38 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 749.15 MB
Peak swap size 12.93 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.8</core_client_version>
<![CDATA[
<stderr_txt>
09:17:07 (27568): wrapper (7.9.26016): starting
09:17:07 (27568): 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
09:17:08 (27568): Library/usr/bin/tar.exe exited; CPU time 0.000000
09:17:08 (27568): 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
09:50:05 (27568): C:/Windows/system32/cmd.exe exited; CPU time 1825.218750
09:50:05 (27568): called boinc_finish(0)
0 bytes in 0 Free Blocks.
536 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: 39515749 bytes.
Dumping objects ->
{3835298} normal block at 0x000002A47580C920, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835287} normal block at 0x000002A47580C990, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835276} normal block at 0x000002A47580C530, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835265} normal block at 0x000002A47580CC30, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835254} normal block at 0x000002A473A75210, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835223} normal block at 0x000002A475857830, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835212} normal block at 0x000002A473ACCCD0, 140 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) : {3835209} normal block at 0x000002A473A6E190, 8 bytes long.
 Data: <  &#161;s&#164;   > 00 00 A1 73 A4 02 00 00 
{3834580} normal block at 0x000002A473ACD350, 140 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833965} normal block at 0x000002A473A6DCE0, 8 bytes long.
 Data: <&#192;e&#139;u&#164;   > C0 65 8B 75 A4 02 00 00 
..\zip\boinc_zip.cpp(122) : {314} normal block at 0x000002A473A710D0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{299} normal block at 0x000002A473A66010, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{298} normal block at 0x000002A473A75C70, 16 bytes long.
 Data: < j&#167;s&#164;           > 08 6A A7 73 A4 02 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x000002A473A76490, 16 bytes long.
 Data: <&#224;i&#167;s&#164;           > E0 69 A7 73 A4 02 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x000002A473A6FE00, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{295} normal block at 0x000002A473A76080, 16 bytes long.
 Data: <&#184;i&#167;s&#164;           > B8 69 A7 73 A4 02 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x000002A473A761C0, 16 bytes long.
 Data: < i&#167;s&#164;           > 90 69 A7 73 A4 02 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x000002A473A763A0, 16 bytes long.
 Data: <hi&#167;s&#164;           > 68 69 A7 73 A4 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x000002A473A75DB0, 16 bytes long.
 Data: <@i&#167;s&#164;           > 40 69 A7 73 A4 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x000002A473A74C60, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{290} normal block at 0x000002A473A76440, 16 bytes long.
 Data: <&#168;&#183;&#165;s&#164;           > A8 B7 A5 73 A4 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x000002A473A6F0E0, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{288} normal block at 0x000002A473A76030, 16 bytes long.
 Data: < &#183;&#165;s&#164;           > 80 B7 A5 73 A4 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x000002A473A765D0, 16 bytes long.
 Data: <X&#183;&#165;s&#164;           > 58 B7 A5 73 A4 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x000002A473A75720, 16 bytes long.
 Data: <0&#183;&#165;s&#164;           > 30 B7 A5 73 A4 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000002A473A75EA0, 16 bytes long.
 Data: < &#183;&#165;s&#164;           > 08 B7 A5 73 A4 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000002A473A75860, 16 bytes long.
 Data: <&#224;&#182;&#165;s&#164;           > E0 B6 A5 73 A4 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000002A473A76530, 16 bytes long.
 Data: <&#184;&#182;&#165;s&#164;           > B8 B6 A5 73 A4 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000002A473A6F1A0, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{280} normal block at 0x000002A473A75C20, 16 bytes long.
 Data: < &#182;&#165;s&#164;           > 90 B6 A5 73 A4 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000002A473A5B690, 320 bytes long.
 Data: < \&#167;s&#164;   &#160;&#241;&#166;s&#164;   > 20 5C A7 73 A4 02 00 00 A0 F1 A6 73 A4 02 00 00 
{278} normal block at 0x000002A473A75810, 16 bytes long.
 Data: < i&#167;s&#164;           > 20 69 A7 73 A4 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000002A473A76350, 16 bytes long.
 Data: <&#248;h&#167;s&#164;           > F8 68 A7 73 A4 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x000002A473A6F440, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{275} normal block at 0x000002A473A75F90, 16 bytes long.
 Data: <&#208;h&#167;s&#164;           > D0 68 A7 73 A4 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x000002A473A6FF80, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{273} normal block at 0x000002A473A763F0, 16 bytes long.
 Data: < h&#167;s&#164;           > 18 68 A7 73 A4 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000002A473A76300, 16 bytes long.
 Data: <&#240;g&#167;s&#164;           > F0 67 A7 73 A4 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x000002A473A762B0, 16 bytes long.
 Data: <&#200;g&#167;s&#164;           > C8 67 A7 73 A4 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x000002A473A75950, 16 bytes long.
 Data: <&#160;g&#167;s&#164;           > A0 67 A7 73 A4 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000002A473A76170, 16 bytes long.
 Data: <xg&#167;s&#164;           > 78 67 A7 73 A4 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000002A473A75F40, 16 bytes long.
 Data: <Pg&#167;s&#164;           > 50 67 A7 73 A4 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000002A473A75D10, 16 bytes long.
 Data: <&#240;K&#167;s&#164;           > F0 4B A7 73 A4 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x000002A473A74BF0, 40 bytes long.
 Data: < ]&#167;s&#164;   0x&#133;u&#164;   > 10 5D A7 73 A4 02 00 00 30 78 85 75 A4 02 00 00 
{264} normal block at 0x000002A473A75E00, 16 bytes long.
 Data: <0g&#167;s&#164;           > 30 67 A7 73 A4 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x000002A473A76210, 16 bytes long.
 Data: < g&#167;s&#164;           > 08 67 A7 73 A4 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x000002A473A6FF20, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{261} normal block at 0x000002A473A75BD0, 16 bytes long.
 Data: <&#224;f&#167;s&#164;           > E0 66 A7 73 A4 02 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x000002A473A766E0, 992 bytes long.
 Data: <&#208;[&#167;s&#164;    &#255;&#166;s&#164;   > D0 5B A7 73 A4 02 00 00 20 FF A6 73 A4 02 00 00 
{96} normal block at 0x000002A473A6F080, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{95} normal block at 0x000002A473A6DB00, 16 bytes long.
 Data: < K&#167;s&#164;           > 10 4B A7 73 A4 02 00 00 00 00 00 00 00 00 00 00 
{94} normal block at 0x000002A473A74B10, 40 bytes long.
 Data: < &#219;&#166;s&#164;    &#240;&#166;s&#164;   > 00 DB A6 73 A4 02 00 00 80 F0 A6 73 A4 02 00 00 
{73} normal block at 0x000002A473A6E050, 16 bytes long.
 Data: < &#234;&#139;^&#246;           > 80 EA 8B 5E F6 7F 00 00 00 00 00 00 00 00 00 00 
{72} normal block at 0x000002A473A6D970, 16 bytes long.
 Data: <@&#233;&#139;^&#246;           > 40 E9 8B 5E F6 7F 00 00 00 00 00 00 00 00 00 00 
{71} normal block at 0x000002A473A6D330, 16 bytes long.
 Data: <&#248;W ^&#246;           > F8 57 88 5E F6 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x000002A473A6DA60, 16 bytes long.
 Data: <&#216;W ^&#246;           > D8 57 88 5E F6 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x000002A473A6D920, 16 bytes long.
 Data: <P  ^&#246;           > 50 04 88 5E F6 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x000002A473A6DA10, 16 bytes long.
 Data: <0  ^&#246;           > 30 04 88 5E F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x000002A473A6D8D0, 16 bytes long.
 Data: <&#224;  ^&#246;           > E0 02 88 5E F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000002A473A6DC90, 16 bytes long.
 Data: <   ^&#246;           > 10 04 88 5E F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000002A473A6E140, 16 bytes long.
 Data: <p  ^&#246;           > 70 04 88 5E F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x000002A473A6D600, 16 bytes long.
 Data: < &#192;&#134;^&#246;           > 18 C0 86 5E F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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