Task 38667195

Name test_523-GPUGRID_TEST_ATM_40STEP_20261023-13-40-RND5395_0
Workunit 31609858
Created 25 Oct 2026, 6:47:14 UTC
Sent 25 Oct 2026, 6:50:08 UTC
Report deadline 30 Oct 2026, 6:50:08 UTC
Received 25 Oct 2026, 9:08:08 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 634205
Run time 1 hours 11 min 38 sec
CPU time 1 hours 9 min 40 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 7,990.82 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 766.39 MB
Peak swap size 12.94 GB
Peak disk usage 3.32 GB

Stderr output

<core_client_version>8.0.4</core_client_version>
<![CDATA[
<stderr_txt>
18:53:35 (11052): wrapper (7.9.26016): starting
18:53:35 (11052): 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
18:53:36 (11052): Library/usr/bin/tar.exe exited; CPU time 0.000000
18:53:36 (11052): 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
20:03:46 (11052): C:/Windows/system32/cmd.exe exited; CPU time 4180.687500
20:03:46 (11052): called boinc_finish(0)
0 bytes in 0 Free Blocks.
256 bytes in 6 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: 88505055 bytes.
Dumping objects ->
{3835521} normal block at 0x0000017570ED8D60, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835510} normal block at 0x0000017570ED8820, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835499} normal block at 0x0000017570ED9000, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835488} normal block at 0x0000017570ED8B30, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835477} normal block at 0x0000017570ED91C0, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835446} normal block at 0x0000017572C161A0, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
..\api\boinc_api.cpp(309) : {3835433} normal block at 0x0000017570EB0A80, 8 bytes long.
 Data: <  &#232;pu   > 00 00 E8 70 75 01 00 00 
{3833971} normal block at 0x0000017570EB0D50, 8 bytes long.
 Data: < &#229;&#175;ru   > 80 E5 AF 72 75 01 00 00 
..\zip\boinc_zip.cpp(122) : {317} normal block at 0x0000017570EA6C80, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{302} normal block at 0x0000017570EA7C70, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{301} normal block at 0x0000017570EB5FF0, 16 bytes long.
 Data: <Xf&#235;pu           > 58 66 EB 70 75 01 00 00 00 00 00 00 00 00 00 00 
{300} normal block at 0x0000017570EB5D70, 16 bytes long.
 Data: <0f&#235;pu           > 30 66 EB 70 75 01 00 00 00 00 00 00 00 00 00 00 
{299} normal block at 0x0000017570EB01E0, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{298} normal block at 0x0000017570EB5D20, 16 bytes long.
 Data: < f&#235;pu           > 08 66 EB 70 75 01 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x0000017570EB5730, 16 bytes long.
 Data: <&#224;e&#235;pu           > E0 65 EB 70 75 01 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x0000017570EB5410, 16 bytes long.
 Data: <&#184;e&#235;pu           > B8 65 EB 70 75 01 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x0000017570EB6090, 16 bytes long.
 Data: < e&#235;pu           > 90 65 EB 70 75 01 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x0000017570EAE7D0, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{293} normal block at 0x0000017570EB5820, 16 bytes long.
 Data: <  &#234;pu           > 08 02 EA 70 75 01 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x0000017570EAFA00, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{291} normal block at 0x0000017570EB6180, 16 bytes long.
 Data: <&#224; &#234;pu           > E0 01 EA 70 75 01 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x0000017570EB5960, 16 bytes long.
 Data: <&#184; &#234;pu           > B8 01 EA 70 75 01 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x0000017570EB62C0, 16 bytes long.
 Data: <  &#234;pu           > 90 01 EA 70 75 01 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x0000017570EB5C30, 16 bytes long.
 Data: <h &#234;pu           > 68 01 EA 70 75 01 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x0000017570EB5910, 16 bytes long.
 Data: <@ &#234;pu           > 40 01 EA 70 75 01 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x0000017570EB5F50, 16 bytes long.
 Data: <  &#234;pu           > 18 01 EA 70 75 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x0000017570EAFEE0, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{283} normal block at 0x0000017570EB5AF0, 16 bytes long.
 Data: <&#240; &#234;pu           > F0 00 EA 70 75 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x0000017570EA00F0, 320 bytes long.
 Data: <&#240;Z&#235;pu   &#224;&#254;&#234;pu   > F0 5A EB 70 75 01 00 00 E0 FE EA 70 75 01 00 00 
{281} normal block at 0x0000017570EB5E10, 16 bytes long.
 Data: <pe&#235;pu           > 70 65 EB 70 75 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x0000017570EB58C0, 16 bytes long.
 Data: <He&#235;pu           > 48 65 EB 70 75 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x0000017570EB0180, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{278} normal block at 0x0000017570EB5BE0, 16 bytes long.
 Data: < e&#235;pu           > 20 65 EB 70 75 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x0000017570EAFD00, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{276} normal block at 0x0000017570EB5B90, 16 bytes long.
 Data: <hd&#235;pu           > 68 64 EB 70 75 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x0000017570EB53C0, 16 bytes long.
 Data: <@d&#235;pu           > 40 64 EB 70 75 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x0000017570EB5870, 16 bytes long.
 Data: < d&#235;pu           > 18 64 EB 70 75 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x0000017570EB5FA0, 16 bytes long.
 Data: <&#240;c&#235;pu           > F0 63 EB 70 75 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x0000017570EB5640, 16 bytes long.
 Data: <&#200;c&#235;pu           > C8 63 EB 70 75 01 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x0000017570EB5500, 16 bytes long.
 Data: <&#160;c&#235;pu           > A0 63 EB 70 75 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x0000017570EB5690, 16 bytes long.
 Data: <`&#231;&#234;pu           > 60 E7 EA 70 75 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x0000017570EAE760, 40 bytes long.
 Data: < V&#235;pu   &#160;a&#193;ru   > 90 56 EB 70 75 01 00 00 A0 61 C1 72 75 01 00 00 
{267} normal block at 0x0000017570EB5DC0, 16 bytes long.
 Data: < c&#235;pu           > 80 63 EB 70 75 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x0000017570EB59B0, 16 bytes long.
 Data: <Xc&#235;pu           > 58 63 EB 70 75 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x0000017570EB04E0, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{264} normal block at 0x0000017570EB56E0, 16 bytes long.
 Data: <0c&#235;pu           > 30 63 EB 70 75 01 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x0000017570EB6330, 992 bytes long.
 Data: <&#224;V&#235;pu   &#224; &#235;pu   > E0 56 EB 70 75 01 00 00 E0 04 EB 70 75 01 00 00 
{99} normal block at 0x0000017570EAFA60, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{98} normal block at 0x0000017570EB0E40, 16 bytes long.
 Data: <&#224;&#227;&#234;pu           > E0 E3 EA 70 75 01 00 00 00 00 00 00 00 00 00 00 
{97} normal block at 0x0000017570EAE3E0, 40 bytes long.
 Data: <@ &#235;pu   `&#250;&#234;pu   > 40 0E EB 70 75 01 00 00 60 FA EA 70 75 01 00 00 
{76} normal block at 0x0000017570EB0E90, 16 bytes long.
 Data: < &#234;s&#183;&#247;           > 80 EA 73 B7 F7 7F 00 00 00 00 00 00 00 00 00 00 
{75} normal block at 0x0000017570EB0F30, 16 bytes long.
 Data: <@&#233;s&#183;&#247;           > 40 E9 73 B7 F7 7F 00 00 00 00 00 00 00 00 00 00 
{74} normal block at 0x0000017570EB1200, 16 bytes long.
 Data: <&#248;Wp&#183;&#247;           > F8 57 70 B7 F7 7F 00 00 00 00 00 00 00 00 00 00 
{73} normal block at 0x0000017570EB0940, 16 bytes long.
 Data: <&#216;Wp&#183;&#247;           > D8 57 70 B7 F7 7F 00 00 00 00 00 00 00 00 00 00 
{72} normal block at 0x0000017570EB16B0, 16 bytes long.
 Data: <P p&#183;&#247;           > 50 04 70 B7 F7 7F 00 00 00 00 00 00 00 00 00 00 
{71} normal block at 0x0000017570EB0BC0, 16 bytes long.
 Data: <0 p&#183;&#247;           > 30 04 70 B7 F7 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x0000017570EB0F80, 16 bytes long.
 Data: <&#224; p&#183;&#247;           > E0 02 70 B7 F7 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x0000017570EB1750, 16 bytes long.
 Data: <  p&#183;&#247;           > 10 04 70 B7 F7 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x0000017570EB13E0, 16 bytes long.
 Data: <p p&#183;&#247;           > 70 04 70 B7 F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x0000017570EB1660, 16 bytes long.
 Data: < &#192;n&#183;&#247;           > 18 C0 6E B7 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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