Task 38674754

Name test_934-GPUGRID_TEST_ATM_40STEP_20261023-18-40-RND8174_0
Workunit 31616773
Created 26 Oct 2026, 6:14:44 UTC
Sent 26 Oct 2026, 6:14:49 UTC
Report deadline 31 Oct 2026, 6:14:49 UTC
Received 26 Oct 2026, 8:42:12 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 654843
Run time 50 min
CPU time 40 min 52 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 13,171.24 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 668.96 MB
Peak swap size 1.56 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
09:52:43 (5476): wrapper (7.9.26016): starting
09:52:43 (5476): 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
09:52:45 (5476): Library/usr/bin/tar.exe exited; CPU time 0.000000
09:52:45 (5476): 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 'D:\ProgramData\BOINC\slots\1\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 'D:\ProgramData\BOINC\slots\1\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
10:40:07 (5476): C:/Windows/system32/cmd.exe exited; CPU time 2452.906250
10:40:07 (5476): called boinc_finish(0)
0 bytes in 0 Free Blocks.
576 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: 30423279 bytes.
Dumping objects ->
{3835229} normal block at 0x000001377E234430, 48 bytes long.
 Data: <PATH=D:\ProgramD> 50 41 54 48 3D 44 3A 5C 50 72 6F 67 72 61 6D 44 
{3835218} normal block at 0x000001377E233F60, 48 bytes long.
 Data: <HOME=D:\ProgramD> 48 4F 4D 45 3D 44 3A 5C 50 72 6F 67 72 61 6D 44 
{3835207} normal block at 0x000001377E233C50, 48 bytes long.
 Data: <TMP=D:\ProgramDa> 54 4D 50 3D 44 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835196} normal block at 0x000001377E2343C0, 48 bytes long.
 Data: <TEMP=D:\ProgramD> 54 45 4D 50 3D 44 3A 5C 50 72 6F 67 72 61 6D 44 
{3835185} normal block at 0x000001377E234040, 48 bytes long.
 Data: <TMPDIR=D:\Progra> 54 4D 50 44 49 52 3D 44 3A 5C 50 72 6F 67 72 61 
{3835154} normal block at 0x000001377E2DB7C0, 64 bytes long.
 Data: <PATH=D:\ProgramD> 50 41 54 48 3D 44 3A 5C 50 72 6F 67 72 61 6D 44 
{3835143} normal block at 0x000001377E381BD0, 160 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) : {3835140} normal block at 0x000001377C8B5BD0, 8 bytes long.
 Data: <  ~|7   > 00 00 7E 7C 37 01 00 00 
{3834539} normal block at 0x000001377E381AF0, 160 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833945} normal block at 0x000001377C8B5EF0, 8 bytes long.
 Data: < Q#~7   > 10 51 23 7E 37 01 00 00 
..\zip\boinc_zip.cpp(122) : {304} normal block at 0x000001377C8BF9A0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x000001377C8A5AA0, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{288} normal block at 0x000001377C8C09B0, 16 bytes long.
 Data: < +&#140;|7           > 08 2B 8C 7C 37 01 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x000001377C8C04B0, 16 bytes long.
 Data: <&#224;*&#140;|7           > E0 2A 8C 7C 37 01 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x000001377C8BC1B0, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{285} normal block at 0x000001377C8C0C30, 16 bytes long.
 Data: <&#184;*&#140;|7           > B8 2A 8C 7C 37 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000001377C8C0B90, 16 bytes long.
 Data: < *&#140;|7           > 90 2A 8C 7C 37 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000001377C8C0B40, 16 bytes long.
 Data: <h*&#140;|7           > 68 2A 8C 7C 37 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000001377C8C0410, 16 bytes long.
 Data: <@*&#140;|7           > 40 2A 8C 7C 37 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000001377C8BAA30, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{280} normal block at 0x000001377C8C05A0, 16 bytes long.
 Data: <8Z&#138;|7           > 38 5A 8A 7C 37 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000001377C8BC4B0, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{278} normal block at 0x000001377C8C0870, 16 bytes long.
 Data: < Z&#138;|7           > 10 5A 8A 7C 37 01 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x000001377C8C1270, 16 bytes long.
 Data: <&#232;Y&#138;|7           > E8 59 8A 7C 37 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000001377C8C0AF0, 16 bytes long.
 Data: <&#192;Y&#138;|7           > C0 59 8A 7C 37 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x000001377C8C0AA0, 16 bytes long.
 Data: < Y&#138;|7           > 98 59 8A 7C 37 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x000001377C8C1220, 16 bytes long.
 Data: <pY&#138;|7           > 70 59 8A 7C 37 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000001377C8C1180, 16 bytes long.
 Data: <HY&#138;|7           > 48 59 8A 7C 37 01 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x000001377C8BBCD0, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{270} normal block at 0x000001377C8C1130, 16 bytes long.
 Data: < Y&#138;|7           > 20 59 8A 7C 37 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000001377C8A5920, 320 bytes long.
 Data: <0 &#140;|7   &#208;&#188;&#139;|7   > 30 11 8C 7C 37 01 00 00 D0 BC 8B 7C 37 01 00 00 
{268} normal block at 0x000001377C8C1360, 16 bytes long.
 Data: < *&#140;|7           > 20 2A 8C 7C 37 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000001377C8C1310, 16 bytes long.
 Data: <&#248;)&#140;|7           > F8 29 8C 7C 37 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000001377C8BC450, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{265} normal block at 0x000001377C8C0F00, 16 bytes long.
 Data: <&#208;)&#140;|7           > D0 29 8C 7C 37 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000001377C8BBC70, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{263} normal block at 0x000001377C8C10E0, 16 bytes long.
 Data: < )&#140;|7           > 18 29 8C 7C 37 01 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x000001377C8C08C0, 16 bytes long.
 Data: <&#240;(&#140;|7           > F0 28 8C 7C 37 01 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x000001377C8C0D70, 16 bytes long.
 Data: <&#200;(&#140;|7           > C8 28 8C 7C 37 01 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x000001377C8C0460, 16 bytes long.
 Data: <&#160;(&#140;|7           > A0 28 8C 7C 37 01 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x000001377C8C0550, 16 bytes long.
 Data: <x(&#140;|7           > 78 28 8C 7C 37 01 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x000001377C8C1090, 16 bytes long.
 Data: <P(&#140;|7           > 50 28 8C 7C 37 01 00 00 00 00 00 00 00 00 00 00 
{256} normal block at 0x000001377C8C1040, 16 bytes long.
 Data: <&#240;&#171;&#139;|7           > F0 AB 8B 7C 37 01 00 00 00 00 00 00 00 00 00 00 
{255} normal block at 0x000001377C8BABF0, 40 bytes long.
 Data: <@ &#140;|7   &#192;&#183;-~7   > 40 10 8C 7C 37 01 00 00 C0 B7 2D 7E 37 01 00 00 
{254} normal block at 0x000001377C8C0640, 16 bytes long.
 Data: <0(&#140;|7           > 30 28 8C 7C 37 01 00 00 00 00 00 00 00 00 00 00 
{253} normal block at 0x000001377C8C0730, 16 bytes long.
 Data: < (&#140;|7           > 08 28 8C 7C 37 01 00 00 00 00 00 00 00 00 00 00 
{252} normal block at 0x000001377C8BBF10, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{251} normal block at 0x000001377C8C0EB0, 16 bytes long.
 Data: <&#224;'&#140;|7           > E0 27 8C 7C 37 01 00 00 00 00 00 00 00 00 00 00 
{250} normal block at 0x000001377C8C27E0, 992 bytes long.
 Data: <&#176; &#140;|7    &#191;&#139;|7   > B0 0E 8C 7C 37 01 00 00 10 BF 8B 7C 37 01 00 00 
{86} normal block at 0x000001377C8BB970, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{85} normal block at 0x000001377C8B5EA0, 16 bytes long.
 Data: < &#168;&#139;|7           > 00 A8 8B 7C 37 01 00 00 00 00 00 00 00 00 00 00 
{84} normal block at 0x000001377C8BA800, 40 bytes long.
 Data: <&#160;^&#139;|7   p&#185;&#139;|7   > A0 5E 8B 7C 37 01 00 00 70 B9 8B 7C 37 01 00 00 
{63} normal block at 0x000001377C8B6080, 16 bytes long.
 Data: < &#234;&#137;&#239;&#247;           > 80 EA 89 EF F7 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x000001377C8B6210, 16 bytes long.
 Data: <@&#233;&#137;&#239;&#247;           > 40 E9 89 EF F7 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x000001377C8B59F0, 16 bytes long.
 Data: <&#248;W&#134;&#239;&#247;           > F8 57 86 EF F7 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x000001377C8B5900, 16 bytes long.
 Data: <&#216;W&#134;&#239;&#247;           > D8 57 86 EF F7 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x000001377C8B5E00, 16 bytes long.
 Data: <P &#134;&#239;&#247;           > 50 04 86 EF F7 7F 00 00 00 00 00 00 00 00 00 00 
{58} normal block at 0x000001377C8B61C0, 16 bytes long.
 Data: <0 &#134;&#239;&#247;           > 30 04 86 EF F7 7F 00 00 00 00 00 00 00 00 00 00 
{57} normal block at 0x000001377C8B5DB0, 16 bytes long.
 Data: <&#224; &#134;&#239;&#247;           > E0 02 86 EF F7 7F 00 00 00 00 00 00 00 00 00 00 
{56} normal block at 0x000001377C8B6300, 16 bytes long.
 Data: <  &#134;&#239;&#247;           > 10 04 86 EF F7 7F 00 00 00 00 00 00 00 00 00 00 
{55} normal block at 0x000001377C8B62B0, 16 bytes long.
 Data: <p &#134;&#239;&#247;           > 70 04 86 EF F7 7F 00 00 00 00 00 00 00 00 00 00 
{54} normal block at 0x000001377C8B64E0, 16 bytes long.
 Data: < &#192;&#132;&#239;&#247;           > 18 C0 84 EF F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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