Task 38676372

Name test_939-GPUGRID_TEST_ATM_40STEP_20261023-28-40-RND7109_0
Workunit 31618293
Created 26 Oct 2026, 11:07:32 UTC
Sent 26 Oct 2026, 11:07:41 UTC
Report deadline 31 Oct 2026, 11:07:41 UTC
Received 26 Oct 2026, 12:39:01 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 654841
Run time 29 min 26 sec
CPU time 27 min 26 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 29,325.87 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 708.54 MB
Peak swap size 8.41 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
14:08:13 (3840): wrapper (7.9.26016): starting
14:08:13 (3840): 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
14:08:14 (3840): Library/usr/bin/tar.exe exited; CPU time 0.015625
14:08:14 (3840): 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\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 'D:\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
14:36:53 (3840): C:/Windows/system32/cmd.exe exited; CPU time 1646.109375
14:36:53 (3840): 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: 23084289 bytes.
Dumping objects ->
{3835233} normal block at 0x000002043C2A7C20, 48 bytes long.
 Data: <PATH=D:\ProgramD> 50 41 54 48 3D 44 3A 5C 50 72 6F 67 72 61 6D 44 
{3835222} normal block at 0x000002043C2A8550, 48 bytes long.
 Data: <HOME=D:\ProgramD> 48 4F 4D 45 3D 44 3A 5C 50 72 6F 67 72 61 6D 44 
{3835211} normal block at 0x000002043C2A8080, 48 bytes long.
 Data: <TMP=D:\ProgramDa> 54 4D 50 3D 44 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835200} normal block at 0x000002043C2A84E0, 48 bytes long.
 Data: <TEMP=D:\ProgramD> 54 45 4D 50 3D 44 3A 5C 50 72 6F 67 72 61 6D 44 
{3835189} normal block at 0x000002043C2A85C0, 48 bytes long.
 Data: <TMPDIR=D:\Progra> 54 4D 50 44 49 52 3D 44 3A 5C 50 72 6F 67 72 61 
{3835158} normal block at 0x000002043DF3DB50, 64 bytes long.
 Data: <PATH=D:\ProgramD> 50 41 54 48 3D 44 3A 5C 50 72 6F 67 72 61 6D 44 
{3835147} normal block at 0x000002043E026B10, 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) : {3835144} normal block at 0x000002043C276A30, 8 bytes long.
 Data: <  %<    > 00 00 25 3C 04 02 00 00 
{3834543} normal block at 0x000002043E026CD0, 160 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833946} normal block at 0x000002043C2767B0, 8 bytes long.
 Data: <P&#139;&#249;=    > 50 8B F9 3D 04 02 00 00 
..\zip\boinc_zip.cpp(122) : {302} normal block at 0x000002043C27C950, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x000002043C277C00, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{286} normal block at 0x000002043C285030, 16 bytes long.
 Data: <(X(<            > 28 58 28 3C 04 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x000002043C284CC0, 16 bytes long.
 Data: < X(<            > 00 58 28 3C 04 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000002043C27B7B0, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{283} normal block at 0x000002043C284D60, 16 bytes long.
 Data: <&#216;W(<            > D8 57 28 3C 04 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000002043C284F90, 16 bytes long.
 Data: <&#176;W(<            > B0 57 28 3C 04 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000002043C284F40, 16 bytes long.
 Data: < W(<            > 88 57 28 3C 04 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000002043C284590, 16 bytes long.
 Data: <`W(<            > 60 57 28 3C 04 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000002043C27E470, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{278} normal block at 0x000002043C284EF0, 16 bytes long.
 Data: <&#248;&#196;&<            > F8 C4 26 3C 04 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000002043C27B930, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{276} normal block at 0x000002043C2849A0, 16 bytes long.
 Data: <&#208;&#196;&<            > D0 C4 26 3C 04 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x000002043C284AE0, 16 bytes long.
 Data: <&#168;&#196;&<            > A8 C4 26 3C 04 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x000002043C284950, 16 bytes long.
 Data: < &#196;&<            > 80 C4 26 3C 04 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000002043C284720, 16 bytes long.
 Data: <X&#196;&<            > 58 C4 26 3C 04 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x000002043C284BD0, 16 bytes long.
 Data: <0&#196;&<            > 30 C4 26 3C 04 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x000002043C2853F0, 16 bytes long.
 Data: < &#196;&<            > 08 C4 26 3C 04 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000002043C27C410, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{268} normal block at 0x000002043C285080, 16 bytes long.
 Data: <&#224;&#195;&<            > E0 C3 26 3C 04 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000002043C26C3E0, 320 bytes long.
 Data: < P(<     &#196;'<    > 80 50 28 3C 04 02 00 00 10 C4 27 3C 04 02 00 00 
{266} normal block at 0x000002043C2848B0, 16 bytes long.
 Data: <@W(<            > 40 57 28 3C 04 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x000002043C284B80, 16 bytes long.
 Data: < W(<            > 18 57 28 3C 04 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000002043C27C3B0, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{263} normal block at 0x000002043C2852B0, 16 bytes long.
 Data: <&#240;V(<            > F0 56 28 3C 04 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x000002043C27B8D0, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{261} normal block at 0x000002043C2850D0, 16 bytes long.
 Data: <8V(<            > 38 56 28 3C 04 02 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x000002043C2846D0, 16 bytes long.
 Data: < V(<            > 10 56 28 3C 04 02 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x000002043C284810, 16 bytes long.
 Data: <&#232;U(<            > E8 55 28 3C 04 02 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x000002043C284900, 16 bytes long.
 Data: <&#192;U(<            > C0 55 28 3C 04 02 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x000002043C284540, 16 bytes long.
 Data: < U(<            > 98 55 28 3C 04 02 00 00 00 00 00 00 00 00 00 00 
{256} normal block at 0x000002043C284630, 16 bytes long.
 Data: <pU(<            > 70 55 28 3C 04 02 00 00 00 00 00 00 00 00 00 00 
{254} normal block at 0x000002043C285300, 16 bytes long.
 Data: <`&#225;'<            > 60 E1 27 3C 04 02 00 00 00 00 00 00 00 00 00 00 
{253} normal block at 0x000002043C27E160, 40 bytes long.
 Data: < S(<    P&#219;&#243;=    > 00 53 28 3C 04 02 00 00 50 DB F3 3D 04 02 00 00 
{252} normal block at 0x000002043C284C70, 16 bytes long.
 Data: <PU(<            > 50 55 28 3C 04 02 00 00 00 00 00 00 00 00 00 00 
{251} normal block at 0x000002043C284FE0, 16 bytes long.
 Data: <(U(<            > 28 55 28 3C 04 02 00 00 00 00 00 00 00 00 00 00 
{250} normal block at 0x000002043C27BFF0, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{249} normal block at 0x000002043C2853A0, 16 bytes long.
 Data: < U(<            > 00 55 28 3C 04 02 00 00 00 00 00 00 00 00 00 00 
{248} normal block at 0x000002043C285500, 992 bytes long.
 Data: <&#160;S(<    &#240;&#191;'<    > A0 53 28 3C 04 02 00 00 F0 BF 27 3C 04 02 00 00 
{84} normal block at 0x000002043C27C230, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{83} normal block at 0x000002043C276850, 16 bytes long.
 Data: <&#176;&#226;'<            > B0 E2 27 3C 04 02 00 00 00 00 00 00 00 00 00 00 
{82} normal block at 0x000002043C27E2B0, 40 bytes long.
 Data: <Ph'<    0&#194;'<    > 50 68 27 3C 04 02 00 00 30 C2 27 3C 04 02 00 00 
{61} normal block at 0x000002043C276DA0, 16 bytes long.
 Data: < &#234;w&#167;&#246;           > 80 EA 77 A7 F6 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x000002043C277430, 16 bytes long.
 Data: <@&#233;w&#167;&#246;           > 40 E9 77 A7 F6 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x000002043C277250, 16 bytes long.
 Data: <&#248;Wt&#167;&#246;           > F8 57 74 A7 F6 7F 00 00 00 00 00 00 00 00 00 00 
{58} normal block at 0x000002043C277200, 16 bytes long.
 Data: <&#216;Wt&#167;&#246;           > D8 57 74 A7 F6 7F 00 00 00 00 00 00 00 00 00 00 
{57} normal block at 0x000002043C276760, 16 bytes long.
 Data: <P t&#167;&#246;           > 50 04 74 A7 F6 7F 00 00 00 00 00 00 00 00 00 00 
{56} normal block at 0x000002043C276710, 16 bytes long.
 Data: <0 t&#167;&#246;           > 30 04 74 A7 F6 7F 00 00 00 00 00 00 00 00 00 00 
{55} normal block at 0x000002043C2771B0, 16 bytes long.
 Data: <&#224; t&#167;&#246;           > E0 02 74 A7 F6 7F 00 00 00 00 00 00 00 00 00 00 
{54} normal block at 0x000002043C276A80, 16 bytes long.
 Data: <  t&#167;&#246;           > 10 04 74 A7 F6 7F 00 00 00 00 00 00 00 00 00 00 
{53} normal block at 0x000002043C277570, 16 bytes long.
 Data: <p t&#167;&#246;           > 70 04 74 A7 F6 7F 00 00 00 00 00 00 00 00 00 00 
{52} normal block at 0x000002043C276D00, 16 bytes long.
 Data: < &#192;r&#167;&#246;           > 18 C0 72 A7 F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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