Task 38698103

Name test_146-GPUGRID_TEST_ATM_40STEP_20261023-32-40-RND0340_0
Workunit 31638635
Created 2 Nov 2026, 3:39:52 UTC
Sent 2 Nov 2026, 3:39:54 UTC
Report deadline 7 Nov 2026, 3:39:54 UTC
Received 2 Nov 2026, 4:15:56 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 602552
Run time 33 min 55 sec
CPU time 33 min 13 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 12,741.16 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 707.03 MB
Peak swap size 9.89 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
14:41:08 (42980): wrapper (7.9.26016): starting
14:41:08 (42980): 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
14:41:09 (42980): Library/usr/bin/tar.exe exited; CPU time 0.000000
14:41:09 (42980): 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
15:14:24 (42980): C:/Windows/system32/cmd.exe exited; CPU time 1993.796875
15:14:24 (42980): 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: 43342003 bytes.
Dumping objects ->
{3835596} normal block at 0x000001D44ED00EB0, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835585} normal block at 0x000001D44ED00890, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835574} normal block at 0x000001D44D105510, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835563} normal block at 0x000001D44D1054A0, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835552} normal block at 0x000001D44D105430, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835521} normal block at 0x000001D44ED7B210, 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) : {3835508} normal block at 0x000001D44D0FE3B0, 8 bytes long.
 Data: <  MM&#212;   > 00 00 4D 4D D4 01 00 00 
{3833971} normal block at 0x000001D44D0FDA00, 8 bytes long.
 Data: <PG&#221;N&#212;   > 50 47 DD 4E D4 01 00 00 
..\zip\boinc_zip.cpp(122) : {317} normal block at 0x000001D44D101580, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{302} normal block at 0x000001D44D0F6530, 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 0x000001D44D1065D0, 16 bytes long.
 Data: <xm M&#212;           > 78 6D 10 4D D4 01 00 00 00 00 00 00 00 00 00 00 
{300} normal block at 0x000001D44D106800, 16 bytes long.
 Data: <Pm M&#212;           > 50 6D 10 4D D4 01 00 00 00 00 00 00 00 00 00 00 
{299} normal block at 0x000001D44D0FF8D0, 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 0x000001D44D106580, 16 bytes long.
 Data: <(m M&#212;           > 28 6D 10 4D D4 01 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x000001D44D106530, 16 bytes long.
 Data: < m M&#212;           > 00 6D 10 4D D4 01 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x000001D44D105C20, 16 bytes long.
 Data: <&#216;l M&#212;           > D8 6C 10 4D D4 01 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x000001D44D105F40, 16 bytes long.
 Data: <&#176;l M&#212;           > B0 6C 10 4D D4 01 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x000001D44D104F60, 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 0x000001D44D1067B0, 16 bytes long.
 Data: < &#232; M&#212;           > 18 E8 0E 4D D4 01 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x000001D44D0FF450, 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 0x000001D44D106990, 16 bytes long.
 Data: <&#240;&#231; M&#212;           > F0 E7 0E 4D D4 01 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x000001D44D1063F0, 16 bytes long.
 Data: <&#200;&#231; M&#212;           > C8 E7 0E 4D D4 01 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x000001D44D106080, 16 bytes long.
 Data: <&#160;&#231; M&#212;           > A0 E7 0E 4D D4 01 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x000001D44D105FE0, 16 bytes long.
 Data: <x&#231; M&#212;           > 78 E7 0E 4D D4 01 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x000001D44D105C70, 16 bytes long.
 Data: <P&#231; M&#212;           > 50 E7 0E 4D D4 01 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x000001D44D106350, 16 bytes long.
 Data: <(&#231; M&#212;           > 28 E7 0E 4D D4 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000001D44D0FFF90, 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 0x000001D44D1062B0, 16 bytes long.
 Data: < &#231; M&#212;           > 00 E7 0E 4D D4 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000001D44D0EE700, 320 bytes long.
 Data: <&#176;b M&#212;    &#255; M&#212;   > B0 62 10 4D D4 01 00 00 90 FF 0F 4D D4 01 00 00 
{281} normal block at 0x000001D44D106260, 16 bytes long.
 Data: < l M&#212;           > 90 6C 10 4D D4 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000001D44D105CC0, 16 bytes long.
 Data: <hl M&#212;           > 68 6C 10 4D D4 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000001D44D0FFC30, 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 0x000001D44D106170, 16 bytes long.
 Data: <@l M&#212;           > 40 6C 10 4D D4 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000001D44D0FF570, 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 0x000001D44D106760, 16 bytes long.
 Data: < k M&#212;           > 88 6B 10 4D D4 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000001D44D1061C0, 16 bytes long.
 Data: <`k M&#212;           > 60 6B 10 4D D4 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x000001D44D106120, 16 bytes long.
 Data: <8k M&#212;           > 38 6B 10 4D D4 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x000001D44D1064E0, 16 bytes long.
 Data: < k M&#212;           > 10 6B 10 4D D4 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000001D44D1060D0, 16 bytes long.
 Data: <&#232;j M&#212;           > E8 6A 10 4D D4 01 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x000001D44D106300, 16 bytes long.
 Data: <&#192;j M&#212;           > C0 6A 10 4D D4 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000001D44D105DB0, 16 bytes long.
 Data: < U M&#212;           > 80 55 10 4D D4 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000001D44D105580, 40 bytes long.
 Data: <&#176;] M&#212;    &#178;&#215;N&#212;   > B0 5D 10 4D D4 01 00 00 10 B2 D7 4E D4 01 00 00 
{267} normal block at 0x000001D44D105D60, 16 bytes long.
 Data: <&#160;j M&#212;           > A0 6A 10 4D D4 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000001D44D106940, 16 bytes long.
 Data: <xj M&#212;           > 78 6A 10 4D D4 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x000001D44D0FF7B0, 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 0x000001D44D106490, 16 bytes long.
 Data: <Pj M&#212;           > 50 6A 10 4D D4 01 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x000001D44D106A50, 992 bytes long.
 Data: < d M&#212;   &#176;&#247; M&#212;   > 90 64 10 4D D4 01 00 00 B0 F7 0F 4D D4 01 00 00 
{99} normal block at 0x000001D44D0FF5D0, 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 0x000001D44D0FD8C0, 16 bytes long.
 Data: < &#242; M&#212;           > 00 F2 0E 4D D4 01 00 00 00 00 00 00 00 00 00 00 
{97} normal block at 0x000001D44D0EF200, 40 bytes long.
 Data: <&#192;&#216; M&#212;   &#208;&#245; M&#212;   > C0 D8 0F 4D D4 01 00 00 D0 F5 0F 4D D4 01 00 00 
{76} normal block at 0x000001D44D0FDEB0, 16 bytes long.
 Data: < &#234;&#158; &#247;           > 80 EA 9E 19 F7 7F 00 00 00 00 00 00 00 00 00 00 
{75} normal block at 0x000001D44D0FDE10, 16 bytes long.
 Data: <@&#233;&#158; &#247;           > 40 E9 9E 19 F7 7F 00 00 00 00 00 00 00 00 00 00 
{74} normal block at 0x000001D44D0FD960, 16 bytes long.
 Data: <&#248;W&#155; &#247;           > F8 57 9B 19 F7 7F 00 00 00 00 00 00 00 00 00 00 
{73} normal block at 0x000001D44D0FDCD0, 16 bytes long.
 Data: <&#216;W&#155; &#247;           > D8 57 9B 19 F7 7F 00 00 00 00 00 00 00 00 00 00 
{72} normal block at 0x000001D44D0FDFF0, 16 bytes long.
 Data: <P &#155; &#247;           > 50 04 9B 19 F7 7F 00 00 00 00 00 00 00 00 00 00 
{71} normal block at 0x000001D44D0FD820, 16 bytes long.
 Data: <0 &#155; &#247;           > 30 04 9B 19 F7 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x000001D44D0FE220, 16 bytes long.
 Data: <&#224; &#155; &#247;           > E0 02 9B 19 F7 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x000001D44D0FDF50, 16 bytes long.
 Data: <  &#155; &#247;           > 10 04 9B 19 F7 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x000001D44D0FD910, 16 bytes long.
 Data: <p &#155; &#247;           > 70 04 9B 19 F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x000001D44D0FE4A0, 16 bytes long.
 Data: < &#192;  &#247;           > 18 C0 99 19 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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