Task 38681869

Name test_393-GPUGRID_TEST_ATM_40STEP_20261023-18-40-RND2509_0
Workunit 31623513
Created 27 Oct 2026, 5:41:47 UTC
Sent 27 Oct 2026, 5:41:49 UTC
Report deadline 1 Nov 2026, 5:41:49 UTC
Received 27 Oct 2026, 7:12:59 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 623758
Run time 30 min 21 sec
CPU time 28 min 11 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 20,847.14 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 667.87 MB
Peak swap size 6.91 GB
Peak disk usage 3.02 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
01:43:55 (9528): wrapper (7.9.26016): starting
01:43:55 (9528): 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
01:43:57 (9528): Library/usr/bin/tar.exe exited; CPU time 0.000000
01:43:57 (9528): 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
02:12:40 (9528): C:/Windows/system32/cmd.exe exited; CPU time 1691.359375
02:12:40 (9528): 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: 21582511 bytes.
Dumping objects ->
{3835234} normal block at 0x000001B22CEF3250, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835223} normal block at 0x000001B22B2B5430, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835212} normal block at 0x000001B22B2B5AC0, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835201} normal block at 0x000001B22B2B5A50, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835190} normal block at 0x000001B22B2B5900, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835159} normal block at 0x000001B22CE64870, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835148} normal block at 0x000001B22CE7F0C0, 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) : {3835145} normal block at 0x000001B22B2AFF70, 8 bytes long.
 Data: <  #+&#178;   > 00 00 23 2B B2 01 00 00 
{3834542} normal block at 0x000001B22CE7F590, 102 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833961} normal block at 0x000001B22B2AF8E0, 8 bytes long.
 Data: <0&#214;8+&#178;   > 30 D6 38 2B B2 01 00 00 
..\zip\boinc_zip.cpp(122) : {312} normal block at 0x000001B22B2B1590, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x000001B22B29EF60, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{296} normal block at 0x000001B22B2B6660, 16 bytes long.
 Data: <&#216;p++&#178;           > D8 70 2B 2B B2 01 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x000001B22B2B6570, 16 bytes long.
 Data: <&#176;p++&#178;           > B0 70 2B 2B B2 01 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x000001B22B2B0DA0, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{293} normal block at 0x000001B22B2B5EE0, 16 bytes long.
 Data: < p++&#178;           > 88 70 2B 2B B2 01 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x000001B22B2B67F0, 16 bytes long.
 Data: <`p++&#178;           > 60 70 2B 2B B2 01 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x000001B22B2B6110, 16 bytes long.
 Data: <8p++&#178;           > 38 70 2B 2B B2 01 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x000001B22B2B69D0, 16 bytes long.
 Data: < p++&#178;           > 10 70 2B 2B B2 01 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x000001B22B2B5970, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{288} normal block at 0x000001B22B2B6980, 16 bytes long.
 Data: <x&#239;*+&#178;           > 78 EF 2A 2B B2 01 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x000001B22B2B0EC0, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{286} normal block at 0x000001B22B2B6BB0, 16 bytes long.
 Data: <P&#239;*+&#178;           > 50 EF 2A 2B B2 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000001B22B2B63E0, 16 bytes long.
 Data: <(&#239;*+&#178;           > 28 EF 2A 2B B2 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000001B22B2B61B0, 16 bytes long.
 Data: < &#239;*+&#178;           > 00 EF 2A 2B B2 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000001B22B2B6610, 16 bytes long.
 Data: <&#216;&#238;*+&#178;           > D8 EE 2A 2B B2 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000001B22B2B6340, 16 bytes long.
 Data: <&#176;&#238;*+&#178;           > B0 EE 2A 2B B2 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000001B22B2B60C0, 16 bytes long.
 Data: < &#238;*+&#178;           > 88 EE 2A 2B B2 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000001B22B2B0E60, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{278} normal block at 0x000001B22B2B6390, 16 bytes long.
 Data: <`&#238;*+&#178;           > 60 EE 2A 2B B2 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000001B22B2AEE60, 320 bytes long.
 Data: < c++&#178;   ` ++&#178;   > 90 63 2B 2B B2 01 00 00 60 0E 2B 2B B2 01 00 00 
{276} normal block at 0x000001B22B2B5F80, 16 bytes long.
 Data: <&#240;o++&#178;           > F0 6F 2B 2B B2 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000001B22B2B6200, 16 bytes long.
 Data: <&#200;o++&#178;           > C8 6F 2B 2B B2 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x000001B22B2B0980, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{273} normal block at 0x000001B22B2B6AC0, 16 bytes long.
 Data: <&#160;o++&#178;           > A0 6F 2B 2B B2 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000001B22B2B09E0, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{271} normal block at 0x000001B22B2B65C0, 16 bytes long.
 Data: <&#232;n++&#178;           > E8 6E 2B 2B B2 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x000001B22B2B6750, 16 bytes long.
 Data: <&#192;n++&#178;           > C0 6E 2B 2B B2 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000001B22B2B5DF0, 16 bytes long.
 Data: < n++&#178;           > 98 6E 2B 2B B2 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000001B22B2B67A0, 16 bytes long.
 Data: <pn++&#178;           > 70 6E 2B 2B B2 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000001B22B2B6480, 16 bytes long.
 Data: <Hn++&#178;           > 48 6E 2B 2B B2 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000001B22B2B6700, 16 bytes long.
 Data: < n++&#178;           > 20 6E 2B 2B B2 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000001B22B2B6C00, 16 bytes long.
 Data: <@W++&#178;           > 40 57 2B 2B B2 01 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x000001B22B2B5740, 40 bytes long.
 Data: < l++&#178;   pH&#230;,&#178;   > 00 6C 2B 2B B2 01 00 00 70 48 E6 2C B2 01 00 00 
{262} normal block at 0x000001B22B2B6160, 16 bytes long.
 Data: < n++&#178;           > 00 6E 2B 2B B2 01 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x000001B22B2B62A0, 16 bytes long.
 Data: <&#216;m++&#178;           > D8 6D 2B 2B B2 01 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x000001B22B2B0860, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{259} normal block at 0x000001B22B2B6840, 16 bytes long.
 Data: <&#176;m++&#178;           > B0 6D 2B 2B B2 01 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x000001B22B2B6DB0, 992 bytes long.
 Data: <@h++&#178;   ` ++&#178;   > 40 68 2B 2B B2 01 00 00 60 08 2B 2B B2 01 00 00 
{94} normal block at 0x000001B22B2B0800, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{93} normal block at 0x000001B22B2AF610, 16 bytes long.
 Data: <@&#245;)+&#178;           > 40 F5 29 2B B2 01 00 00 00 00 00 00 00 00 00 00 
{92} normal block at 0x000001B22B29F540, 40 bytes long.
 Data: < &#246;*+&#178;     ++&#178;   > 10 F6 2A 2B B2 01 00 00 00 08 2B 2B B2 01 00 00 
{71} normal block at 0x000001B22B2AFF20, 16 bytes long.
 Data: < &#234;} &#247;           > 80 EA 7D 1E F7 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x000001B22B2AFA20, 16 bytes long.
 Data: <@&#233;} &#247;           > 40 E9 7D 1E F7 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x000001B22B2AF7F0, 16 bytes long.
 Data: <&#248;Wz &#247;           > F8 57 7A 1E F7 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x000001B22B2AF9D0, 16 bytes long.
 Data: <&#216;Wz &#247;           > D8 57 7A 1E F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x000001B22B2AF930, 16 bytes long.
 Data: <P z &#247;           > 50 04 7A 1E F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000001B22B2AF200, 16 bytes long.
 Data: <0 z &#247;           > 30 04 7A 1E F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000001B22B2AF480, 16 bytes long.
 Data: <&#224; z &#247;           > E0 02 7A 1E F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x000001B22B2AF3E0, 16 bytes long.
 Data: <  z &#247;           > 10 04 7A 1E F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x000001B22B2AF070, 16 bytes long.
 Data: <p z &#247;           > 70 04 7A 1E F7 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x000001B22B2AFED0, 16 bytes long.
 Data: < &#192;x &#247;           > 18 C0 78 1E F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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