Task 38680873

Name test_379-GPUGRID_TEST_ATM_40STEP_20261023-26-40-RND6691_0
Workunit 31622570
Created 27 Oct 2026, 2:01:51 UTC
Sent 27 Oct 2026, 2:01:54 UTC
Report deadline 1 Nov 2026, 2:01:54 UTC
Received 27 Oct 2026, 16:53:45 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 609517
Run time 36 min 44 sec
CPU time 34 min 53 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 36,130.35 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 732.62 MB
Peak swap size 12.97 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
17:11:58 (42072): wrapper (7.9.26016): starting
17:11:58 (42072): 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
17:12:00 (42072): Library/usr/bin/tar.exe exited; CPU time 0.015625
17:12:00 (42072): 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\7\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\7\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
17:53:14 (42072): C:/Windows/system32/cmd.exe exited; CPU time 2093.781250
17:53:14 (42072): 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: 46745115 bytes.
Dumping objects ->
{3835277} normal block at 0x000001E44A70BAA0, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835266} normal block at 0x000001E44A70BA30, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835255} normal block at 0x000001E44A70BDB0, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835244} normal block at 0x000001E44A70C3D0, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835233} normal block at 0x000001E44A6E4940, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835202} normal block at 0x000001E44C389100, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835191} normal block at 0x000001E44C39E650, 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) : {3835188} normal block at 0x000001E44A6DF190, 8 bytes long.
 Data: <  iJ&#228;   > 00 00 69 4A E4 01 00 00 
{3834564} normal block at 0x000001E44C39F0A0, 102 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833959} normal block at 0x000001E44A6DEB50, 8 bytes long.
 Data: < &#234;)L&#228;   > 90 EA 29 4C E4 01 00 00 
..\zip\boinc_zip.cpp(122) : {311} normal block at 0x000001E44A6E0FD0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x000001E44A6D5E70, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{295} normal block at 0x000001E44A6E5560, 16 bytes long.
 Data: <(enJ&#228;           > 28 65 6E 4A E4 01 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x000001E44A6E5FB0, 16 bytes long.
 Data: < enJ&#228;           > 00 65 6E 4A E4 01 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x000001E44A6DFD60, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{292} normal block at 0x000001E44A6E5D80, 16 bytes long.
 Data: <&#216;dnJ&#228;           > D8 64 6E 4A E4 01 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x000001E44A6E5C40, 16 bytes long.
 Data: <&#176;dnJ&#228;           > B0 64 6E 4A E4 01 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x000001E44A6E5D30, 16 bytes long.
 Data: < dnJ&#228;           > 88 64 6E 4A E4 01 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x000001E44A6E5970, 16 bytes long.
 Data: <`dnJ&#228;           > 60 64 6E 4A E4 01 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x000001E44A6E4A20, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{287} normal block at 0x000001E44A6E5510, 16 bytes long.
 Data: <8&#239;lJ&#228;           > 38 EF 6C 4A E4 01 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x000001E44A6DF880, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{285} normal block at 0x000001E44A6E5A10, 16 bytes long.
 Data: < &#239;lJ&#228;           > 10 EF 6C 4A E4 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000001E44A6E5F60, 16 bytes long.
 Data: <&#232;&#238;lJ&#228;           > E8 EE 6C 4A E4 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000001E44A6E60A0, 16 bytes long.
 Data: <&#192;&#238;lJ&#228;           > C0 EE 6C 4A E4 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000001E44A6E5420, 16 bytes long.
 Data: < &#238;lJ&#228;           > 98 EE 6C 4A E4 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000001E44A6E59C0, 16 bytes long.
 Data: <p&#238;lJ&#228;           > 70 EE 6C 4A E4 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000001E44A6E6000, 16 bytes long.
 Data: <H&#238;lJ&#228;           > 48 EE 6C 4A E4 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x000001E44A6DFAC0, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{277} normal block at 0x000001E44A6E54C0, 16 bytes long.
 Data: < &#238;lJ&#228;           > 20 EE 6C 4A E4 01 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x000001E44A6CEE20, 320 bytes long.
 Data: <&#192;TnJ&#228;   &#192;&#250;mJ&#228;   > C0 54 6E 4A E4 01 00 00 C0 FA 6D 4A E4 01 00 00 
{275} normal block at 0x000001E44A6E6050, 16 bytes long.
 Data: <@dnJ&#228;           > 40 64 6E 4A E4 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x000001E44A6E5CE0, 16 bytes long.
 Data: < dnJ&#228;           > 18 64 6E 4A E4 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x000001E44A6DFC40, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{272} normal block at 0x000001E44A6E5B00, 16 bytes long.
 Data: <&#240;cnJ&#228;           > F0 63 6E 4A E4 01 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x000001E44A6E0600, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{270} normal block at 0x000001E44A6E5B50, 16 bytes long.
 Data: <8cnJ&#228;           > 38 63 6E 4A E4 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000001E44A6E5F10, 16 bytes long.
 Data: < cnJ&#228;           > 10 63 6E 4A E4 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000001E44A6E5290, 16 bytes long.
 Data: <&#232;bnJ&#228;           > E8 62 6E 4A E4 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000001E44A6E5AB0, 16 bytes long.
 Data: <&#192;bnJ&#228;           > C0 62 6E 4A E4 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000001E44A6E5BF0, 16 bytes long.
 Data: < bnJ&#228;           > 98 62 6E 4A E4 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x000001E44A6E5EC0, 16 bytes long.
 Data: <pbnJ&#228;           > 70 62 6E 4A E4 01 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x000001E44A6E60F0, 16 bytes long.
 Data: <&#176;InJ&#228;           > B0 49 6E 4A E4 01 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x000001E44A6E49B0, 40 bytes long.
 Data: <&#240;`nJ&#228;    &#145;8L&#228;   > F0 60 6E 4A E4 01 00 00 00 91 38 4C E4 01 00 00 
{261} normal block at 0x000001E44A6E5600, 16 bytes long.
 Data: <PbnJ&#228;           > 50 62 6E 4A E4 01 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x000001E44A6E5650, 16 bytes long.
 Data: <(bnJ&#228;           > 28 62 6E 4A E4 01 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x000001E44A6E01E0, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{258} normal block at 0x000001E44A6E5470, 16 bytes long.
 Data: < bnJ&#228;           > 00 62 6E 4A E4 01 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x000001E44A6E6200, 992 bytes long.
 Data: <pTnJ&#228;   &#224; nJ&#228;   > 70 54 6E 4A E4 01 00 00 E0 01 6E 4A E4 01 00 00 
{93} normal block at 0x000001E44A6DFB80, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{92} normal block at 0x000001E44A6DEE20, 16 bytes long.
 Data: < GnJ&#228;           > 10 47 6E 4A E4 01 00 00 00 00 00 00 00 00 00 00 
{91} normal block at 0x000001E44A6E4710, 40 bytes long.
 Data: < &#238;mJ&#228;    &#251;mJ&#228;   > 20 EE 6D 4A E4 01 00 00 80 FB 6D 4A E4 01 00 00 
{70} normal block at 0x000001E44A6DF140, 16 bytes long.
 Data: < &#234;k&#158;&#246;           > 80 EA 6B 9E F6 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x000001E44A6DEA10, 16 bytes long.
 Data: <@&#233;k&#158;&#246;           > 40 E9 6B 9E F6 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x000001E44A6DF0A0, 16 bytes long.
 Data: <&#248;Wh&#158;&#246;           > F8 57 68 9E F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x000001E44A6DEBF0, 16 bytes long.
 Data: <&#216;Wh&#158;&#246;           > D8 57 68 9E F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000001E44A6DF4B0, 16 bytes long.
 Data: <P h&#158;&#246;           > 50 04 68 9E F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000001E44A6DED80, 16 bytes long.
 Data: <0 h&#158;&#246;           > 30 04 68 9E F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x000001E44A6DE8D0, 16 bytes long.
 Data: <&#224; h&#158;&#246;           > E0 02 68 9E F6 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x000001E44A6DE920, 16 bytes long.
 Data: <  h&#158;&#246;           > 10 04 68 9E F6 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x000001E44A6DF230, 16 bytes long.
 Data: <p h&#158;&#246;           > 70 04 68 9E F6 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x000001E44A6DED30, 16 bytes long.
 Data: < &#192;f&#158;&#246;           > 18 C0 66 9E F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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