Task 38686580

Name test_974-GPUGRID_TEST_ATM_40STEP_20261023-23-40-RND8588_0
Workunit 31628009
Created 28 Oct 2026, 3:17:33 UTC
Sent 28 Oct 2026, 3:17:34 UTC
Report deadline 2 Nov 2026, 3:17:34 UTC
Received 28 Oct 2026, 4:49:52 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 630739
Run time 41 min
CPU time 37 min 46 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 15,302.18 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 731.51 MB
Peak swap size 11.39 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
00:09:59 (24776): wrapper (7.9.26016): starting
00:09:59 (24776): 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
00:10:01 (24776): Library/usr/bin/tar.exe exited; CPU time 0.000000
00:10:01 (24776): 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\28\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\28\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
00:49:12 (24776): C:/Windows/system32/cmd.exe exited; CPU time 2266.718750
00:49:12 (24776): 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: 49142803 bytes.
Dumping objects ->
{3835284} normal block at 0x00000204E432D0E0, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835273} normal block at 0x00000204E26846D0, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835262} normal block at 0x00000204E2684D60, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835251} normal block at 0x00000204E2684C80, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835240} normal block at 0x00000204E2684BA0, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835209} normal block at 0x00000204E4378440, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835198} normal block at 0x00000204E438E920, 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) : {3835195} normal block at 0x00000204E2680220, 8 bytes long.
 Data: <  &#165;&#226;    > 00 00 A5 E2 04 02 00 00 
{3834571} normal block at 0x00000204E438EDF0, 102 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833963} normal block at 0x00000204E26801D0, 8 bytes long.
 Data: <&#176;&#243;f&#226;    > B0 F3 66 E2 04 02 00 00 
..\zip\boinc_zip.cpp(122) : {313} normal block at 0x00000204E2676240, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{298} normal block at 0x00000204E2676F20, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{297} normal block at 0x00000204E2685AF0, 16 bytes long.
 Data: <8hh&#226;            > 38 68 68 E2 04 02 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x00000204E2686450, 16 bytes long.
 Data: < hh&#226;            > 10 68 68 E2 04 02 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x00000204E2680800, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{294} normal block at 0x00000204E26856E0, 16 bytes long.
 Data: <&#232;gh&#226;            > E8 67 68 E2 04 02 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x00000204E2685D20, 16 bytes long.
 Data: <&#192;gh&#226;            > C0 67 68 E2 04 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x00000204E2685690, 16 bytes long.
 Data: < gh&#226;            > 98 67 68 E2 04 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x00000204E2686310, 16 bytes long.
 Data: <pgh&#226;            > 70 67 68 E2 04 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x00000204E2684CF0, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{289} normal block at 0x00000204E2685870, 16 bytes long.
 Data: <&#168;&#183;f&#226;            > A8 B7 66 E2 04 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x00000204E26807A0, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{287} normal block at 0x00000204E2685CD0, 16 bytes long.
 Data: < &#183;f&#226;            > 80 B7 66 E2 04 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x00000204E2685FF0, 16 bytes long.
 Data: <X&#183;f&#226;            > 58 B7 66 E2 04 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x00000204E2686040, 16 bytes long.
 Data: <0&#183;f&#226;            > 30 B7 66 E2 04 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x00000204E26862C0, 16 bytes long.
 Data: < &#183;f&#226;            > 08 B7 66 E2 04 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x00000204E2685E10, 16 bytes long.
 Data: <&#224;&#182;f&#226;            > E0 B6 66 E2 04 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x00000204E2686220, 16 bytes long.
 Data: <&#184;&#182;f&#226;            > B8 B6 66 E2 04 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x00000204E26809E0, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{279} normal block at 0x00000204E26859B0, 16 bytes long.
 Data: < &#182;f&#226;            > 90 B6 66 E2 04 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x00000204E266B690, 320 bytes long.
 Data: <&#176;Yh&#226;    &#224;	h&#226;    > B0 59 68 E2 04 02 00 00 E0 09 68 E2 04 02 00 00 
{277} normal block at 0x00000204E2685FA0, 16 bytes long.
 Data: <Pgh&#226;            > 50 67 68 E2 04 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x00000204E2686400, 16 bytes long.
 Data: <(gh&#226;            > 28 67 68 E2 04 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x00000204E2681220, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{274} normal block at 0x00000204E26860E0, 16 bytes long.
 Data: < gh&#226;            > 00 67 68 E2 04 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x00000204E2681340, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{272} normal block at 0x00000204E26863B0, 16 bytes long.
 Data: <Hfh&#226;            > 48 66 68 E2 04 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x00000204E2685A00, 16 bytes long.
 Data: < fh&#226;            > 20 66 68 E2 04 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x00000204E26861D0, 16 bytes long.
 Data: <&#248;eh&#226;            > F8 65 68 E2 04 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x00000204E2685C80, 16 bytes long.
 Data: <&#208;eh&#226;            > D0 65 68 E2 04 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x00000204E2685640, 16 bytes long.
 Data: <&#168;eh&#226;            > A8 65 68 E2 04 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x00000204E2685780, 16 bytes long.
 Data: < eh&#226;            > 80 65 68 E2 04 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x00000204E26855F0, 16 bytes long.
 Data: <&#176;Gh&#226;            > B0 47 68 E2 04 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x00000204E26847B0, 40 bytes long.
 Data: <&#240;Uh&#226;    @&#132;7&#228;    > F0 55 68 E2 04 02 00 00 40 84 37 E4 04 02 00 00 
{263} normal block at 0x00000204E2686180, 16 bytes long.
 Data: <`eh&#226;            > 60 65 68 E2 04 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x00000204E26855A0, 16 bytes long.
 Data: <8eh&#226;            > 38 65 68 E2 04 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x00000204E26811C0, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{260} normal block at 0x00000204E2686270, 16 bytes long.
 Data: < eh&#226;            > 10 65 68 E2 04 02 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x00000204E2686510, 992 bytes long.
 Data: <pbh&#226;    &#192; h&#226;    > 70 62 68 E2 04 02 00 00 C0 11 68 E2 04 02 00 00 
{95} normal block at 0x00000204E2680C80, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{94} normal block at 0x00000204E267FF00, 16 bytes long.
 Data: <&#192;&#245;g&#226;            > C0 F5 67 E2 04 02 00 00 00 00 00 00 00 00 00 00 
{93} normal block at 0x00000204E267F5C0, 40 bytes long.
 Data: < &#255;g&#226;      h&#226;    > 00 FF 67 E2 04 02 00 00 80 0C 68 E2 04 02 00 00 
{72} normal block at 0x00000204E26805E0, 16 bytes long.
 Data: < &#234;g[&#246;           > 80 EA 67 5B F6 7F 00 00 00 00 00 00 00 00 00 00 
{71} normal block at 0x00000204E267FE60, 16 bytes long.
 Data: <@&#233;g[&#246;           > 40 E9 67 5B F6 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x00000204E2680130, 16 bytes long.
 Data: <&#248;Wd[&#246;           > F8 57 64 5B F6 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x00000204E267F910, 16 bytes long.
 Data: <&#216;Wd[&#246;           > D8 57 64 5B F6 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x00000204E267FB90, 16 bytes long.
 Data: <P d[&#246;           > 50 04 64 5B F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x00000204E2680590, 16 bytes long.
 Data: <0 d[&#246;           > 30 04 64 5B F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x00000204E267FA50, 16 bytes long.
 Data: <&#224; d[&#246;           > E0 02 64 5B F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x00000204E267FC30, 16 bytes long.
 Data: <  d[&#246;           > 10 04 64 5B F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x00000204E2680540, 16 bytes long.
 Data: <p d[&#246;           > 70 04 64 5B F6 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x00000204E2680180, 16 bytes long.
 Data: < &#192;b[&#246;           > 18 C0 62 5B F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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