Task 38684731

Name test_559-GPUGRID_TEST_ATM_40STEP_20261023-36-40-RND4092_0
Workunit 31626236
Created 27 Oct 2026, 17:43:29 UTC
Sent 27 Oct 2026, 17:43:34 UTC
Report deadline 1 Nov 2026, 17:43:34 UTC
Received 27 Oct 2026, 19:09:39 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 630739
Run time 42 min 24 sec
CPU time 38 min 23 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 15,302.18 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 727.48 MB
Peak swap size 11.38 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
14:29:11 (38832): wrapper (7.9.26016): starting
14:29:11 (38832): 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
14:29:13 (38832): Library/usr/bin/tar.exe exited; CPU time 0.000000
14:29:13 (38832): 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\28\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\28\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
15:08:59 (38832): C:/Windows/system32/cmd.exe exited; CPU time 2303.343750
15:08:59 (38832): 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: 49611437 bytes.
Dumping objects ->
{3835284} normal block at 0x000001A62C67CB30, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835273} normal block at 0x000001A62A984760, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835262} normal block at 0x000001A62A9846F0, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835251} normal block at 0x000001A62A984680, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835240} normal block at 0x000001A62A984D80, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835209} normal block at 0x000001A62C6C5470, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835198} normal block at 0x000001A62C6DE9D0, 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) : {3835195} normal block at 0x000001A62A97FC00, 8 bytes long.
 Data: <   *&#166;   > 00 00 90 2A A6 01 00 00 
{3834571} normal block at 0x000001A62C6DEB30, 102 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833963} normal block at 0x000001A62A9800B0, 8 bytes long.
 Data: < Bu,&#166;   > 10 42 75 2C A6 01 00 00 
..\zip\boinc_zip.cpp(122) : {313} normal block at 0x000001A62A976620, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{298} normal block at 0x000001A62A977570, 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 0x000001A62A9863D0, 16 bytes long.
 Data: <Xh *&#166;           > 58 68 98 2A A6 01 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x000001A62A985ED0, 16 bytes long.
 Data: <0h *&#166;           > 30 68 98 2A A6 01 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x000001A62A980C40, 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 0x000001A62A985F70, 16 bytes long.
 Data: < h *&#166;           > 08 68 98 2A A6 01 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x000001A62A985E80, 16 bytes long.
 Data: <&#224;g *&#166;           > E0 67 98 2A A6 01 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x000001A62A985C50, 16 bytes long.
 Data: <&#184;g *&#166;           > B8 67 98 2A A6 01 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x000001A62A985C00, 16 bytes long.
 Data: < g *&#166;           > 90 67 98 2A A6 01 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x000001A62A984C30, 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 0x000001A62A985BB0, 16 bytes long.
 Data: <&#168;&#183;&#150;*&#166;           > A8 B7 96 2A A6 01 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x000001A62A9814E0, 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 0x000001A62A985B60, 16 bytes long.
 Data: < &#183;&#150;*&#166;           > 80 B7 96 2A A6 01 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x000001A62A985B10, 16 bytes long.
 Data: <X&#183;&#150;*&#166;           > 58 B7 96 2A A6 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000001A62A985610, 16 bytes long.
 Data: <0&#183;&#150;*&#166;           > 30 B7 96 2A A6 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000001A62A985CF0, 16 bytes long.
 Data: < &#183;&#150;*&#166;           > 08 B7 96 2A A6 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000001A62A986060, 16 bytes long.
 Data: <&#224;&#182;&#150;*&#166;           > E0 B6 96 2A A6 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000001A62A9855C0, 16 bytes long.
 Data: <&#184;&#182;&#150;*&#166;           > B8 B6 96 2A A6 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000001A62A981120, 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 0x000001A62A985AC0, 16 bytes long.
 Data: < &#182;&#150;*&#166;           > 90 B6 96 2A A6 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x000001A62A96B690, 320 bytes long.
 Data: <&#192;Z *&#166;      *&#166;   > C0 5A 98 2A A6 01 00 00 20 11 98 2A A6 01 00 00 
{277} normal block at 0x000001A62A985930, 16 bytes long.
 Data: <pg *&#166;           > 70 67 98 2A A6 01 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x000001A62A985700, 16 bytes long.
 Data: <Hg *&#166;           > 48 67 98 2A A6 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000001A62A980940, 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 0x000001A62A985660, 16 bytes long.
 Data: < g *&#166;           > 20 67 98 2A A6 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x000001A62A981540, 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 0x000001A62A985A20, 16 bytes long.
 Data: <hf *&#166;           > 68 66 98 2A A6 01 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x000001A62A9858E0, 16 bytes long.
 Data: <@f *&#166;           > 40 66 98 2A A6 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x000001A62A985D90, 16 bytes long.
 Data: < f *&#166;           > 18 66 98 2A A6 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000001A62A9857F0, 16 bytes long.
 Data: <&#240;e *&#166;           > F0 65 98 2A A6 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000001A62A985D40, 16 bytes long.
 Data: <&#200;e *&#166;           > C8 65 98 2A A6 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000001A62A985A70, 16 bytes long.
 Data: <&#160;e *&#166;           > A0 65 98 2A A6 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x000001A62A9859D0, 16 bytes long.
 Data: <pJ *&#166;           > 70 4A 98 2A A6 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000001A62A984A70, 40 bytes long.
 Data: <&#208;Y *&#166;   pTl,&#166;   > D0 59 98 2A A6 01 00 00 70 54 6C 2C A6 01 00 00 
{263} normal block at 0x000001A62A985980, 16 bytes long.
 Data: < e *&#166;           > 80 65 98 2A A6 01 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x000001A62A985570, 16 bytes long.
 Data: <Xe *&#166;           > 58 65 98 2A A6 01 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x000001A62A981300, 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 0x000001A62A985CA0, 16 bytes long.
 Data: <0e *&#166;           > 30 65 98 2A A6 01 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x000001A62A986530, 992 bytes long.
 Data: <&#160;\ *&#166;      *&#166;   > A0 5C 98 2A A6 01 00 00 00 13 98 2A A6 01 00 00 
{95} normal block at 0x000001A62A981420, 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 0x000001A62A97FB10, 16 bytes long.
 Data: <`&#201;&#150;*&#166;           > 60 C9 96 2A A6 01 00 00 00 00 00 00 00 00 00 00 
{93} normal block at 0x000001A62A96C960, 40 bytes long.
 Data: < &#251;&#151;*&#166;      *&#166;   > 10 FB 97 2A A6 01 00 00 20 14 98 2A A6 01 00 00 
{72} normal block at 0x000001A62A97FE80, 16 bytes long.
 Data: < &#234;g[&#246;           > 80 EA 67 5B F6 7F 00 00 00 00 00 00 00 00 00 00 
{71} normal block at 0x000001A62A97FC50, 16 bytes long.
 Data: <@&#233;g[&#246;           > 40 E9 67 5B F6 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x000001A62A980420, 16 bytes long.
 Data: <&#248;Wd[&#246;           > F8 57 64 5B F6 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x000001A62A97FED0, 16 bytes long.
 Data: <&#216;Wd[&#246;           > D8 57 64 5B F6 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x000001A62A980650, 16 bytes long.
 Data: <P d[&#246;           > 50 04 64 5B F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x000001A62A9804C0, 16 bytes long.
 Data: <0 d[&#246;           > 30 04 64 5B F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000001A62A980290, 16 bytes long.
 Data: <&#224; d[&#246;           > E0 02 64 5B F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000001A62A97FE30, 16 bytes long.
 Data: <  d[&#246;           > 10 04 64 5B F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x000001A62A97FDE0, 16 bytes long.
 Data: <p d[&#246;           > 70 04 64 5B F6 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x000001A62A97FCA0, 16 bytes long.
 Data: < &#192;b[&#246;           > 18 C0 62 5B F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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