Task 38662227

Name test_1392-GPUGRID_TEST_ATM_2STEP_20261024-1-2-RND1771_0
Workunit 31605497
Created 24 Oct 2026, 18:24:33 UTC
Sent 24 Oct 2026, 18:24:35 UTC
Report deadline 29 Oct 2026, 18:24:35 UTC
Received 24 Oct 2026, 21:18:38 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 593262
Run time 23 min 57 sec
CPU time 22 min 12 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 51,075.63 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 720.20 MB
Peak swap size 6.99 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
20:27:15 (24596): wrapper (7.9.26016): starting
20:27:15 (24596): 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
20:27:16 (24596): Library/usr/bin/tar.exe exited; CPU time 0.015625
20:27:16 (24596): 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\16\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\16\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
20:50:00 (24596): C:/Windows/system32/cmd.exe exited; CPU time 1332.906250
20:50:00 (24596): called boinc_finish(0)
0 bytes in 0 Free Blocks.
426 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: 28028892 bytes.
Dumping objects ->
{3835296} normal block at 0x0000016C611AE650, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835285} normal block at 0x0000016C611AEB20, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835274} normal block at 0x0000016C611AEC70, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835263} normal block at 0x0000016C611AE500, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835252} normal block at 0x0000016C611AE1F0, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835221} normal block at 0x0000016C62ECDAB0, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835210} normal block at 0x0000016C62EE3990, 85 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) : {3835207} normal block at 0x0000016C61180F40, 8 bytes long.
 Data: <  eal   > 00 00 65 61 6C 01 00 00 
{3834586} normal block at 0x0000016C62EE3E90, 85 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833985} normal block at 0x0000016C611813A0, 8 bytes long.
 Data: < &#163;&#242;bl   > 10 A3 F2 62 6C 01 00 00 
..\zip\boinc_zip.cpp(122) : {324} normal block at 0x0000016C6117DD20, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{309} normal block at 0x0000016C61175870, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{308} normal block at 0x0000016C6118B0B0, 16 bytes long.
 Data: <&#232;t al           > E8 74 18 61 6C 01 00 00 00 00 00 00 00 00 00 00 
{307} normal block at 0x0000016C6118BB00, 16 bytes long.
 Data: <&#192;t al           > C0 74 18 61 6C 01 00 00 00 00 00 00 00 00 00 00 
{306} normal block at 0x0000016C61187B90, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{305} normal block at 0x0000016C6118BD30, 16 bytes long.
 Data: < t al           > 98 74 18 61 6C 01 00 00 00 00 00 00 00 00 00 00 
{304} normal block at 0x0000016C6118B2E0, 16 bytes long.
 Data: <pt al           > 70 74 18 61 6C 01 00 00 00 00 00 00 00 00 00 00 
{303} normal block at 0x0000016C6118B650, 16 bytes long.
 Data: <Ht al           > 48 74 18 61 6C 01 00 00 00 00 00 00 00 00 00 00 
{302} normal block at 0x0000016C6118B920, 16 bytes long.
 Data: < t al           > 20 74 18 61 6C 01 00 00 00 00 00 00 00 00 00 00 
{301} normal block at 0x0000016C61188B70, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{300} normal block at 0x0000016C6118BAB0, 16 bytes long.
 Data: <&#200;- al           > C8 2D 17 61 6C 01 00 00 00 00 00 00 00 00 00 00 
{299} normal block at 0x0000016C611877D0, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{298} normal block at 0x0000016C6118BC40, 16 bytes long.
 Data: <&#160;- al           > A0 2D 17 61 6C 01 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x0000016C6118B290, 16 bytes long.
 Data: <x- al           > 78 2D 17 61 6C 01 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x0000016C6118BCE0, 16 bytes long.
 Data: <P- al           > 50 2D 17 61 6C 01 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x0000016C6118B510, 16 bytes long.
 Data: <(- al           > 28 2D 17 61 6C 01 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x0000016C6118B830, 16 bytes long.
 Data: < - al           > 00 2D 17 61 6C 01 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x0000016C6118B1F0, 16 bytes long.
 Data: <&#216;, al           > D8 2C 17 61 6C 01 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x0000016C61187B30, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{290} normal block at 0x0000016C6118BBF0, 16 bytes long.
 Data: <&#176;, al           > B0 2C 17 61 6C 01 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x0000016C61172CB0, 320 bytes long.
 Data: <&#240;&#187; al   0{ al   > F0 BB 18 61 6C 01 00 00 30 7B 18 61 6C 01 00 00 
{288} normal block at 0x0000016C6118B7E0, 16 bytes long.
 Data: < t al           > 00 74 18 61 6C 01 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x0000016C6118B4C0, 16 bytes long.
 Data: <&#216;s al           > D8 73 18 61 6C 01 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x0000016C61187770, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{285} normal block at 0x0000016C6118B380, 16 bytes long.
 Data: <&#176;s al           > B0 73 18 61 6C 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x0000016C61187D70, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{283} normal block at 0x0000016C6118B100, 16 bytes long.
 Data: <&#248;r al           > F8 72 18 61 6C 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x0000016C6118BA60, 16 bytes long.
 Data: <&#208;r al           > D0 72 18 61 6C 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x0000016C6118B470, 16 bytes long.
 Data: <&#168;r al           > A8 72 18 61 6C 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x0000016C6118BBA0, 16 bytes long.
 Data: < r al           > 80 72 18 61 6C 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x0000016C6118B6A0, 16 bytes long.
 Data: <Xr al           > 58 72 18 61 6C 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x0000016C6118B790, 16 bytes long.
 Data: <0r al           > 30 72 18 61 6C 01 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x0000016C6118BF60, 16 bytes long.
 Data: <&#160;  al           > A0 8D 18 61 6C 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x0000016C61188DA0, 40 bytes long.
 Data: <`&#191; al   &#176;&#218;&#236;bl   > 60 BF 18 61 6C 01 00 00 B0 DA EC 62 6C 01 00 00 
{274} normal block at 0x0000016C6118BF10, 16 bytes long.
 Data: < r al           > 10 72 18 61 6C 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x0000016C6118B8D0, 16 bytes long.
 Data: <&#232;q al           > E8 71 18 61 6C 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x0000016C61188250, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{271} normal block at 0x0000016C6118BB50, 16 bytes long.
 Data: <&#192;q al           > C0 71 18 61 6C 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x0000016C611871C0, 992 bytes long.
 Data: <P&#187; al   P&#130; al   > 50 BB 18 61 6C 01 00 00 50 82 18 61 6C 01 00 00 
{106} normal block at 0x0000016C61188550, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{105} normal block at 0x0000016C61180770, 16 bytes long.
 Data: < &#139; al           > 00 8B 18 61 6C 01 00 00 00 00 00 00 00 00 00 00 
{104} normal block at 0x0000016C61188B00, 40 bytes long.
 Data: <p  al   P&#133; al   > 70 07 18 61 6C 01 00 00 50 85 18 61 6C 01 00 00 
{83} normal block at 0x0000016C61181350, 16 bytes long.
 Data: < &#234;'i&#247;           > 80 EA 27 69 F7 7F 00 00 00 00 00 00 00 00 00 00 
{82} normal block at 0x0000016C61180FE0, 16 bytes long.
 Data: <@&#233;'i&#247;           > 40 E9 27 69 F7 7F 00 00 00 00 00 00 00 00 00 00 
{81} normal block at 0x0000016C611811C0, 16 bytes long.
 Data: <&#248;W$i&#247;           > F8 57 24 69 F7 7F 00 00 00 00 00 00 00 00 00 00 
{80} normal block at 0x0000016C61180B30, 16 bytes long.
 Data: <&#216;W$i&#247;           > D8 57 24 69 F7 7F 00 00 00 00 00 00 00 00 00 00 
{79} normal block at 0x0000016C61180D60, 16 bytes long.
 Data: <P $i&#247;           > 50 04 24 69 F7 7F 00 00 00 00 00 00 00 00 00 00 
{78} normal block at 0x0000016C61180C20, 16 bytes long.
 Data: <0 $i&#247;           > 30 04 24 69 F7 7F 00 00 00 00 00 00 00 00 00 00 
{77} normal block at 0x0000016C611808B0, 16 bytes long.
 Data: <&#224; $i&#247;           > E0 02 24 69 F7 7F 00 00 00 00 00 00 00 00 00 00 
{76} normal block at 0x0000016C61181170, 16 bytes long.
 Data: <  $i&#247;           > 10 04 24 69 F7 7F 00 00 00 00 00 00 00 00 00 00 
{75} normal block at 0x0000016C61180860, 16 bytes long.
 Data: <p $i&#247;           > 70 04 24 69 F7 7F 00 00 00 00 00 00 00 00 00 00 
{74} normal block at 0x0000016C61180720, 16 bytes long.
 Data: < &#192;"i&#247;           > 18 C0 22 69 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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