Task 38683690

Name test_875-GPUGRID_TEST_ATM_40STEP_20261023-25-40-RND9650_0
Workunit 31625241
Created 27 Oct 2026, 12:51:50 UTC
Sent 27 Oct 2026, 12:52:00 UTC
Report deadline 1 Nov 2026, 12:52:00 UTC
Received 27 Oct 2026, 14:03:04 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 618813
Run time 30 min 34 sec
CPU time 29 min 23 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 86,019.63 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 727.22 MB
Peak swap size 13.19 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.4</core_client_version>
<![CDATA[
<stderr_txt>
09:33:05 (58192): wrapper (7.9.26016): starting
09:33:05 (58192): 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
09:33:06 (58192): Library/usr/bin/tar.exe exited; CPU time 0.000000
09:33:06 (58192): 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
10:02:45 (58192): C:/Windows/system32/cmd.exe exited; CPU time 1763.453125
10:02:45 (58192): called boinc_finish(0)
0 bytes in 0 Free Blocks.
536 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: 54522987 bytes.
Dumping objects ->
{3835426} normal block at 0x00000157B7181410, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835415} normal block at 0x00000157B71813A0, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835404} normal block at 0x00000157B7180D10, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835393} normal block at 0x00000157B7180D80, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835382} normal block at 0x00000157B71808B0, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835351} normal block at 0x00000157B54C4030, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835340} normal block at 0x00000157B54F9CE0, 140 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) : {3835337} normal block at 0x00000157B548F950, 8 bytes long.
 Data: <  B&#181;W   > 00 00 42 B5 57 01 00 00 
{3834683} normal block at 0x00000157B54F9250, 140 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3834035} normal block at 0x00000157B548F900, 8 bytes long.
 Data: < "H&#181;W   > 00 22 48 B5 57 01 00 00 
..\zip\boinc_zip.cpp(122) : {349} normal block at 0x00000157B548AA00, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{334} normal block at 0x00000157B5489B60, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{333} normal block at 0x00000157B54A0120, 16 bytes long.
 Data: <X J&#181;W           > 58 07 4A B5 57 01 00 00 00 00 00 00 00 00 00 00 
{332} normal block at 0x00000157B549FC20, 16 bytes long.
 Data: <0 J&#181;W           > 30 07 4A B5 57 01 00 00 00 00 00 00 00 00 00 00 
{331} normal block at 0x00000157B549A450, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{330} normal block at 0x00000157B549FBD0, 16 bytes long.
 Data: <  J&#181;W           > 08 07 4A B5 57 01 00 00 00 00 00 00 00 00 00 00 
{329} normal block at 0x00000157B549FB80, 16 bytes long.
 Data: <&#224; J&#181;W           > E0 06 4A B5 57 01 00 00 00 00 00 00 00 00 00 00 
{328} normal block at 0x00000157B549FAE0, 16 bytes long.
 Data: <&#184; J&#181;W           > B8 06 4A B5 57 01 00 00 00 00 00 00 00 00 00 00 
{327} normal block at 0x00000157B549F770, 16 bytes long.
 Data: <  J&#181;W           > 90 06 4A B5 57 01 00 00 00 00 00 00 00 00 00 00 
{326} normal block at 0x00000157B5499490, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{325} normal block at 0x00000157B549F720, 16 bytes long.
 Data: <&#216;~H&#181;W           > D8 7E 48 B5 57 01 00 00 00 00 00 00 00 00 00 00 
{324} normal block at 0x00000157B549A690, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{323} normal block at 0x00000157B549F950, 16 bytes long.
 Data: <&#176;~H&#181;W           > B0 7E 48 B5 57 01 00 00 00 00 00 00 00 00 00 00 
{321} normal block at 0x00000157B549F5E0, 16 bytes long.
 Data: < ~H&#181;W           > 88 7E 48 B5 57 01 00 00 00 00 00 00 00 00 00 00 
{320} normal block at 0x00000157B549F360, 16 bytes long.
 Data: <`~H&#181;W           > 60 7E 48 B5 57 01 00 00 00 00 00 00 00 00 00 00 
{319} normal block at 0x00000157B54A0170, 16 bytes long.
 Data: <8~H&#181;W           > 38 7E 48 B5 57 01 00 00 00 00 00 00 00 00 00 00 
{318} normal block at 0x00000157B549F900, 16 bytes long.
 Data: < ~H&#181;W           > 10 7E 48 B5 57 01 00 00 00 00 00 00 00 00 00 00 
{317} normal block at 0x00000157B549F7C0, 16 bytes long.
 Data: <&#232;}H&#181;W           > E8 7D 48 B5 57 01 00 00 00 00 00 00 00 00 00 00 
{316} normal block at 0x00000157B549A6F0, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{315} normal block at 0x00000157B549F4F0, 16 bytes long.
 Data: <&#192;}H&#181;W           > C0 7D 48 B5 57 01 00 00 00 00 00 00 00 00 00 00 
{314} normal block at 0x00000157B5487DC0, 320 bytes long.
 Data: <&#240;&#244;I&#181;W   &#240;&#166;I&#181;W   > F0 F4 49 B5 57 01 00 00 F0 A6 49 B5 57 01 00 00 
{313} normal block at 0x00000157B549F450, 16 bytes long.
 Data: <p J&#181;W           > 70 06 4A B5 57 01 00 00 00 00 00 00 00 00 00 00 
{312} normal block at 0x00000157B549F4A0, 16 bytes long.
 Data: <H J&#181;W           > 48 06 4A B5 57 01 00 00 00 00 00 00 00 00 00 00 
{311} normal block at 0x00000157B549A630, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{310} normal block at 0x00000157B549FE50, 16 bytes long.
 Data: <  J&#181;W           > 20 06 4A B5 57 01 00 00 00 00 00 00 00 00 00 00 
{309} normal block at 0x00000157B549A5D0, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{308} normal block at 0x00000157B549FA40, 16 bytes long.
 Data: <h J&#181;W           > 68 05 4A B5 57 01 00 00 00 00 00 00 00 00 00 00 
{307} normal block at 0x00000157B549F590, 16 bytes long.
 Data: <@ J&#181;W           > 40 05 4A B5 57 01 00 00 00 00 00 00 00 00 00 00 
{306} normal block at 0x00000157B549F6D0, 16 bytes long.
 Data: <  J&#181;W           > 18 05 4A B5 57 01 00 00 00 00 00 00 00 00 00 00 
{305} normal block at 0x00000157B549F8B0, 16 bytes long.
 Data: <&#240; J&#181;W           > F0 04 4A B5 57 01 00 00 00 00 00 00 00 00 00 00 
{304} normal block at 0x00000157B549F680, 16 bytes long.
 Data: <&#200; J&#181;W           > C8 04 4A B5 57 01 00 00 00 00 00 00 00 00 00 00 
{303} normal block at 0x00000157B549FE00, 16 bytes long.
 Data: <&#160; J&#181;W           > A0 04 4A B5 57 01 00 00 00 00 00 00 00 00 00 00 
{301} normal block at 0x00000157B54A0030, 16 bytes long.
 Data: < &#149;I&#181;W           > 00 95 49 B5 57 01 00 00 00 00 00 00 00 00 00 00 
{300} normal block at 0x00000157B5499500, 40 bytes long.
 Data: <0 J&#181;W   0@L&#181;W   > 30 00 4A B5 57 01 00 00 30 40 4C B5 57 01 00 00 
{299} normal block at 0x00000157B549F400, 16 bytes long.
 Data: <  J&#181;W           > 80 04 4A B5 57 01 00 00 00 00 00 00 00 00 00 00 
{298} normal block at 0x00000157B549F9F0, 16 bytes long.
 Data: <X J&#181;W           > 58 04 4A B5 57 01 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x00000157B549A390, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{296} normal block at 0x00000157B549FF40, 16 bytes long.
 Data: <0 J&#181;W           > 30 04 4A B5 57 01 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x00000157B54A0430, 992 bytes long.
 Data: <@&#255;I&#181;W    &#163;I&#181;W   > 40 FF 49 B5 57 01 00 00 90 A3 49 B5 57 01 00 00 
{131} normal block at 0x00000157B5499AF0, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{130} normal block at 0x00000157B548F8B0, 16 bytes long.
 Data: <@&#147;I&#181;W           > 40 93 49 B5 57 01 00 00 00 00 00 00 00 00 00 00 
{129} normal block at 0x00000157B5499340, 40 bytes long.
 Data: <&#176;&#248;H&#181;W   &#240;&#154;I&#181;W   > B0 F8 48 B5 57 01 00 00 F0 9A 49 B5 57 01 00 00 
{108} normal block at 0x00000157B548F6D0, 16 bytes long.
 Data: < &#234;&#251;C&#246;           > 80 EA FB 43 F6 7F 00 00 00 00 00 00 00 00 00 00 
{107} normal block at 0x00000157B548F5E0, 16 bytes long.
 Data: <@&#233;&#251;C&#246;           > 40 E9 FB 43 F6 7F 00 00 00 00 00 00 00 00 00 00 
{106} normal block at 0x00000157B548F590, 16 bytes long.
 Data: <&#248;W&#248;C&#246;           > F8 57 F8 43 F6 7F 00 00 00 00 00 00 00 00 00 00 
{105} normal block at 0x00000157B54901C0, 16 bytes long.
 Data: <&#216;W&#248;C&#246;           > D8 57 F8 43 F6 7F 00 00 00 00 00 00 00 00 00 00 
{104} normal block at 0x00000157B548FFE0, 16 bytes long.
 Data: <P &#248;C&#246;           > 50 04 F8 43 F6 7F 00 00 00 00 00 00 00 00 00 00 
{103} normal block at 0x00000157B548FBD0, 16 bytes long.
 Data: <0 &#248;C&#246;           > 30 04 F8 43 F6 7F 00 00 00 00 00 00 00 00 00 00 
{102} normal block at 0x00000157B54900D0, 16 bytes long.
 Data: <&#224; &#248;C&#246;           > E0 02 F8 43 F6 7F 00 00 00 00 00 00 00 00 00 00 
{101} normal block at 0x00000157B548F7C0, 16 bytes long.
 Data: <  &#248;C&#246;           > 10 04 F8 43 F6 7F 00 00 00 00 00 00 00 00 00 00 
{100} normal block at 0x00000157B548F9A0, 16 bytes long.
 Data: <p &#248;C&#246;           > 70 04 F8 43 F6 7F 00 00 00 00 00 00 00 00 00 00 
{99} normal block at 0x00000157B548F450, 16 bytes long.
 Data: < &#192;&#246;C&#246;           > 18 C0 F6 43 F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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