Task 38670079

Name test_208-GPUGRID_TEST_ATM_40STEP_20261023-18-40-RND1599_0
Workunit 31612355
Created 25 Oct 2026, 16:25:38 UTC
Sent 25 Oct 2026, 16:25:48 UTC
Report deadline 30 Oct 2026, 16:25:48 UTC
Received 25 Oct 2026, 16:51:19 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 590858
Run time 23 min 27 sec
CPU time 22 min 23 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 16,266.02 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 671.39 MB
Peak swap size 3.97 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>7.16.20</core_client_version>
<![CDATA[
<stderr_txt>
17:27:05 (19828): wrapper (7.9.26016): starting
17:27:05 (19828): 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
17:27:06 (19828): Library/usr/bin/tar.exe exited; CPU time 0.000000
17:27:06 (19828): 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
17:50:05 (19828): C:/Windows/system32/cmd.exe exited; CPU time 1343.750000
17:50:05 (19828): 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: 23913169 bytes.
Dumping objects ->
{3835503} normal block at 0x000002602D244150, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835492} normal block at 0x000002602D244690, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835481} normal block at 0x000002602D243DD0, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835470} normal block at 0x000002602D243D60, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835459} normal block at 0x000002602B4659A0, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835428} normal block at 0x000002602D1BB590, 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) : {3835415} normal block at 0x000002602B45DA00, 8 bytes long.
 Data: <  &#145;+`   > 00 00 91 2B 60 02 00 00 
{3833963} normal block at 0x000002602B45DFF0, 8 bytes long.
 Data: < &#234; -`   > 90 EA 00 2D 60 02 00 00 
..\zip\boinc_zip.cpp(122) : {313} normal block at 0x000002602B461FE0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{298} normal block at 0x000002602B456490, 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 0x000002602B466B20, 16 bytes long.
 Data: <&#184;sF+`           > B8 73 46 2B 60 02 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x000002602B4660D0, 16 bytes long.
 Data: < sF+`           > 90 73 46 2B 60 02 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x000002602B45F9B0, 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 0x000002602B466E90, 16 bytes long.
 Data: <hsF+`           > 68 73 46 2B 60 02 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x000002602B466530, 16 bytes long.
 Data: <@sF+`           > 40 73 46 2B 60 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x000002602B466E40, 16 bytes long.
 Data: < sF+`           > 18 73 46 2B 60 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x000002602B466A30, 16 bytes long.
 Data: <&#240;rF+`           > F0 72 46 2B 60 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x000002602B465D20, 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 0x000002602B466620, 16 bytes long.
 Data: <X E+`           > 58 98 45 2B 60 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x000002602B460430, 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 0x000002602B4662B0, 16 bytes long.
 Data: <0 E+`           > 30 98 45 2B 60 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x000002602B466580, 16 bytes long.
 Data: <  E+`           > 08 98 45 2B 60 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000002602B466EE0, 16 bytes long.
 Data: <&#224;&#151;E+`           > E0 97 45 2B 60 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000002602B466AD0, 16 bytes long.
 Data: <&#184;&#151;E+`           > B8 97 45 2B 60 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000002602B4665D0, 16 bytes long.
 Data: < &#151;E+`           > 90 97 45 2B 60 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000002602B4666C0, 16 bytes long.
 Data: <h&#151;E+`           > 68 97 45 2B 60 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000002602B4602B0, 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 0x000002602B466490, 16 bytes long.
 Data: <@&#151;E+`           > 40 97 45 2B 60 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x000002602B459740, 320 bytes long.
 Data: < dF+`   &#176; F+`   > 90 64 46 2B 60 02 00 00 B0 02 46 2B 60 02 00 00 
{277} normal block at 0x000002602B466350, 16 bytes long.
 Data: <&#208;rF+`           > D0 72 46 2B 60 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x000002602B4668F0, 16 bytes long.
 Data: <&#168;rF+`           > A8 72 46 2B 60 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000002602B460670, 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 0x000002602B4669E0, 16 bytes long.
 Data: < rF+`           > 80 72 46 2B 60 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x000002602B45FE30, 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 0x000002602B466DF0, 16 bytes long.
 Data: <&#200;qF+`           > C8 71 46 2B 60 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x000002602B4668A0, 16 bytes long.
 Data: <&#160;qF+`           > A0 71 46 2B 60 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x000002602B466990, 16 bytes long.
 Data: <xqF+`           > 78 71 46 2B 60 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000002602B466440, 16 bytes long.
 Data: <PqF+`           > 50 71 46 2B 60 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000002602B4663F0, 16 bytes long.
 Data: <(qF+`           > 28 71 46 2B 60 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000002602B466D50, 16 bytes long.
 Data: < qF+`           > 00 71 46 2B 60 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x000002602B466710, 16 bytes long.
 Data: <P_F+`           > 50 5F 46 2B 60 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000002602B465F50, 40 bytes long.
 Data: < gF+`    &#181; -`   > 10 67 46 2B 60 02 00 00 90 B5 1B 2D 60 02 00 00 
{263} normal block at 0x000002602B466850, 16 bytes long.
 Data: <&#224;pF+`           > E0 70 46 2B 60 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x000002602B466940, 16 bytes long.
 Data: <&#184;pF+`           > B8 70 46 2B 60 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x000002602B45FA10, 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 0x000002602B466FD0, 16 bytes long.
 Data: < pF+`           > 90 70 46 2B 60 02 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x000002602B467090, 992 bytes long.
 Data: <&#208;oF+`    &#250;E+`   > D0 6F 46 2B 60 02 00 00 10 FA 45 2B 60 02 00 00 
{95} normal block at 0x000002602B45F950, 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 0x000002602B45E4F0, 16 bytes long.
 Data: <&#240;ZF+`           > F0 5A 46 2B 60 02 00 00 00 00 00 00 00 00 00 00 
{93} normal block at 0x000002602B465AF0, 40 bytes long.
 Data: <&#240;&#228;E+`   P&#249;E+`   > F0 E4 45 2B 60 02 00 00 50 F9 45 2B 60 02 00 00 
{72} normal block at 0x000002602B45DFA0, 16 bytes long.
 Data: < &#234;4&#215;&#247;           > 80 EA 34 D7 F7 7F 00 00 00 00 00 00 00 00 00 00 
{71} normal block at 0x000002602B45DF00, 16 bytes long.
 Data: <@&#233;4&#215;&#247;           > 40 E9 34 D7 F7 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x000002602B45D9B0, 16 bytes long.
 Data: <&#248;W1&#215;&#247;           > F8 57 31 D7 F7 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x000002602B45E860, 16 bytes long.
 Data: <&#216;W1&#215;&#247;           > D8 57 31 D7 F7 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x000002602B45E630, 16 bytes long.
 Data: <P 1&#215;&#247;           > 50 04 31 D7 F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x000002602B45E180, 16 bytes long.
 Data: <0 1&#215;&#247;           > 30 04 31 D7 F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000002602B45E0E0, 16 bytes long.
 Data: <&#224; 1&#215;&#247;           > E0 02 31 D7 F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000002602B45E4A0, 16 bytes long.
 Data: <  1&#215;&#247;           > 10 04 31 D7 F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x000002602B45E6D0, 16 bytes long.
 Data: <p 1&#215;&#247;           > 70 04 31 D7 F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x000002602B45E220, 16 bytes long.
 Data: < &#192;/&#215;&#247;           > 18 C0 2F D7 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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