Task 38646289

Name test_405-GPUGRID_TEST_ATM_1000_20261023-0-1-RND6804_0
Workunit 31591242
Created 23 Oct 2026, 16:31:02 UTC
Sent 23 Oct 2026, 17:27:28 UTC
Report deadline 28 Oct 2026, 17:27:28 UTC
Received 23 Oct 2026, 17:48:49 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 641223
Run time 18 min 17 sec
CPU time 17 min 21 sec
Validate state Valid
Credit 1,000.00
Device peak FLOPS 40,554.03 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 721.08 MB
Peak swap size 6.95 GB
Peak disk usage 2.97 GB

Stderr output

<core_client_version>7.24.1</core_client_version>
<![CDATA[
<stderr_txt>
10:30:39 (54280): wrapper (7.9.26016): starting
10:30:39 (54280): 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
10:30:40 (54280): Library/usr/bin/tar.exe exited; CPU time 0.031250
10:30:40 (54280): 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
10:48:26 (54280): C:/Windows/system32/cmd.exe exited; CPU time 1041.109375
10:48:26 (54280): 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: 30542581 bytes.
Dumping objects ->
{3836262} normal block at 0x000001195C27E430, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3836251} normal block at 0x000001195C27E3C0, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3836240} normal block at 0x000001195C27E900, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3836229} normal block at 0x000001195C258E40, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3836218} normal block at 0x000001195C258D60, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3836187} normal block at 0x000001195E0589A0, 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) : {3836174} normal block at 0x000001195C2524D0, 8 bytes long.
 Data: <  {\    > 00 00 7B 5C 19 01 00 00 
{3833971} normal block at 0x000001195C252A20, 8 bytes long.
 Data: <&#224;&#137; ^    > E0 89 0E 5E 19 01 00 00 
..\zip\boinc_zip.cpp(122) : {317} normal block at 0x000001195C24AC00, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{302} normal block at 0x000001195C242310, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{301} normal block at 0x000001195C259C80, 16 bytes long.
 Data: <&#232;&#167;%\            > E8 A7 25 5C 19 01 00 00 00 00 00 00 00 00 00 00 
{300} normal block at 0x000001195C2599B0, 16 bytes long.
 Data: <&#192;&#167;%\            > C0 A7 25 5C 19 01 00 00 00 00 00 00 00 00 00 00 
{299} normal block at 0x000001195C255470, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{298} normal block at 0x000001195C25A400, 16 bytes long.
 Data: < &#167;%\            > 98 A7 25 5C 19 01 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x000001195C2595A0, 16 bytes long.
 Data: <p&#167;%\            > 70 A7 25 5C 19 01 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x000001195C259870, 16 bytes long.
 Data: <H&#167;%\            > 48 A7 25 5C 19 01 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x000001195C259960, 16 bytes long.
 Data: < &#167;%\            > 20 A7 25 5C 19 01 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x000001195C259310, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{293} normal block at 0x000001195C259C30, 16 bytes long.
 Data: <x&#222;$\            > 78 DE 24 5C 19 01 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x000001195C254F30, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{291} normal block at 0x000001195C25A040, 16 bytes long.
 Data: <P&#222;$\            > 50 DE 24 5C 19 01 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x000001195C25A3B0, 16 bytes long.
 Data: <(&#222;$\            > 28 DE 24 5C 19 01 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x000001195C259910, 16 bytes long.
 Data: < &#222;$\            > 00 DE 24 5C 19 01 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x000001195C259730, 16 bytes long.
 Data: <&#216;&#221;$\            > D8 DD 24 5C 19 01 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x000001195C259690, 16 bytes long.
 Data: <&#176;&#221;$\            > B0 DD 24 5C 19 01 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x000001195C25A360, 16 bytes long.
 Data: < &#221;$\            > 88 DD 24 5C 19 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000001195C254ED0, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{283} normal block at 0x000001195C25A220, 16 bytes long.
 Data: <`&#221;$\            > 60 DD 24 5C 19 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000001195C24DD60, 320 bytes long.
 Data: < &#162;%\    &#208;N%\    > 20 A2 25 5C 19 01 00 00 D0 4E 25 5C 19 01 00 00 
{281} normal block at 0x000001195C25A180, 16 bytes long.
 Data: < &#167;%\            > 00 A7 25 5C 19 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000001195C25A2C0, 16 bytes long.
 Data: <&#216;&#166;%\            > D8 A6 25 5C 19 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000001195C255AD0, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{278} normal block at 0x000001195C259BE0, 16 bytes long.
 Data: <&#176;&#166;%\            > B0 A6 25 5C 19 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000001195C2553B0, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{276} normal block at 0x000001195C2598C0, 16 bytes long.
 Data: <&#248;&#165;%\            > F8 A5 25 5C 19 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000001195C259820, 16 bytes long.
 Data: <&#208;&#165;%\            > D0 A5 25 5C 19 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x000001195C259E60, 16 bytes long.
 Data: <&#168;&#165;%\            > A8 A5 25 5C 19 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x000001195C259FF0, 16 bytes long.
 Data: < &#165;%\            > 80 A5 25 5C 19 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000001195C259E10, 16 bytes long.
 Data: <X&#165;%\            > 58 A5 25 5C 19 01 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x000001195C259550, 16 bytes long.
 Data: <0&#165;%\            > 30 A5 25 5C 19 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000001195C25A1D0, 16 bytes long.
 Data: <P&#145;%\            > 50 91 25 5C 19 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000001195C259150, 40 bytes long.
 Data: <&#208;&#161;%\    &#160;&#137; ^    > D0 A1 25 5C 19 01 00 00 A0 89 05 5E 19 01 00 00 
{267} normal block at 0x000001195C259B90, 16 bytes long.
 Data: < &#165;%\            > 10 A5 25 5C 19 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000001195C259D70, 16 bytes long.
 Data: <&#232;&#164;%\            > E8 A4 25 5C 19 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x000001195C254FF0, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{264} normal block at 0x000001195C259780, 16 bytes long.
 Data: <&#192;&#164;%\            > C0 A4 25 5C 19 01 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x000001195C25A4C0, 992 bytes long.
 Data: < &#151;%\    &#240;O%\    > 80 97 25 5C 19 01 00 00 F0 4F 25 5C 19 01 00 00 
{99} normal block at 0x000001195C2554D0, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{98} normal block at 0x000001195C251FD0, 16 bytes long.
 Data: <&#240;&#147;%\            > F0 93 25 5C 19 01 00 00 00 00 00 00 00 00 00 00 
{97} normal block at 0x000001195C2593F0, 40 bytes long.
 Data: <&#208; %\    &#208;T%\    > D0 1F 25 5C 19 01 00 00 D0 54 25 5C 19 01 00 00 
{76} normal block at 0x000001195C252C50, 16 bytes long.
 Data: < &#234;&#168; &#246;           > 80 EA A8 0A F6 7F 00 00 00 00 00 00 00 00 00 00 
{75} normal block at 0x000001195C2525C0, 16 bytes long.
 Data: <@&#233;&#168; &#246;           > 40 E9 A8 0A F6 7F 00 00 00 00 00 00 00 00 00 00 
{74} normal block at 0x000001195C252250, 16 bytes long.
 Data: <&#248;W&#165; &#246;           > F8 57 A5 0A F6 7F 00 00 00 00 00 00 00 00 00 00 
{73} normal block at 0x000001195C252DE0, 16 bytes long.
 Data: <&#216;W&#165; &#246;           > D8 57 A5 0A F6 7F 00 00 00 00 00 00 00 00 00 00 
{72} normal block at 0x000001195C252AC0, 16 bytes long.
 Data: <P &#165; &#246;           > 50 04 A5 0A F6 7F 00 00 00 00 00 00 00 00 00 00 
{71} normal block at 0x000001195C2523E0, 16 bytes long.
 Data: <0 &#165; &#246;           > 30 04 A5 0A F6 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x000001195C252840, 16 bytes long.
 Data: <&#224; &#165; &#246;           > E0 02 A5 0A F6 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x000001195C252200, 16 bytes long.
 Data: <  &#165; &#246;           > 10 04 A5 0A F6 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x000001195C2529D0, 16 bytes long.
 Data: <p &#165; &#246;           > 70 04 A5 0A F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x000001195C252480, 16 bytes long.
 Data: < &#192;&#163; &#246;           > 18 C0 A3 0A F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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