Task 38688782

Name test_441-GPUGRID_TEST_ATM_40STEP_20261023-31-40-RND3934_0
Workunit 31630103
Created 28 Oct 2026, 16:08:20 UTC
Sent 28 Oct 2026, 16:08:25 UTC
Report deadline 2 Nov 2026, 16:08:25 UTC
Received 28 Oct 2026, 16:27:59 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 652400
Run time 18 min 32 sec
CPU time 16 min 32 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 44,481.07 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 730.81 MB
Peak swap size 8.49 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
17:09:14 (28852): wrapper (7.9.26016): starting
17:09:14 (28852): 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
17:09:15 (28852): Library/usr/bin/tar.exe exited; CPU time 0.000000
17:09:15 (28852): 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\10\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\10\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
17:27:06 (28852): C:/Windows/system32/cmd.exe exited; CPU time 992.265625
17:27:06 (28852): 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: 20114099 bytes.
Dumping objects ->
{3835223} normal block at 0x0000020B593B3FB0, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835212} normal block at 0x0000020B593B3F40, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835201} normal block at 0x0000020B593B3E60, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835190} normal block at 0x0000020B593B3DF0, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835179} normal block at 0x0000020B593B3D80, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835148} normal block at 0x0000020B5B1B6E80, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835137} normal block at 0x0000020B5B1CD220, 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) : {3835134} normal block at 0x0000020B593AC7C0, 8 bytes long.
 Data: <   Y    > 00 00 98 59 0B 02 00 00 
{3834541} normal block at 0x0000020B5B1CD170, 102 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833959} normal block at 0x0000020B593ACEA0, 8 bytes long.
 Data: <`&#231; [    > 60 E7 03 5B 0B 02 00 00 
..\zip\boinc_zip.cpp(122) : {311} normal block at 0x0000020B593AEF10, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x0000020B5939E7E0, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{295} normal block at 0x0000020B593B2BB0, 16 bytes long.
 Data: < 9;Y            > 98 39 3B 59 0B 02 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x0000020B593B2F70, 16 bytes long.
 Data: <p9;Y            > 70 39 3B 59 0B 02 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x0000020B593ADBA0, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{292} normal block at 0x0000020B593B3150, 16 bytes long.
 Data: <H9;Y            > 48 39 3B 59 0B 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x0000020B593B2B10, 16 bytes long.
 Data: < 9;Y            > 20 39 3B 59 0B 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x0000020B593B3560, 16 bytes long.
 Data: <&#248;8;Y            > F8 38 3B 59 0B 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x0000020B593B2840, 16 bytes long.
 Data: <&#208;8;Y            > D0 38 3B 59 0B 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x0000020B593B41E0, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{287} normal block at 0x0000020B593B3510, 16 bytes long.
 Data: <&#200;&#142;:Y            > C8 8E 3A 59 0B 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x0000020B593AE3E0, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{285} normal block at 0x0000020B593B2B60, 16 bytes long.
 Data: <&#160;&#142;:Y            > A0 8E 3A 59 0B 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x0000020B593B2F20, 16 bytes long.
 Data: <x&#142;:Y            > 78 8E 3A 59 0B 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x0000020B593B2E80, 16 bytes long.
 Data: <P&#142;:Y            > 50 8E 3A 59 0B 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x0000020B593B3290, 16 bytes long.
 Data: <(&#142;:Y            > 28 8E 3A 59 0B 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x0000020B593B29D0, 16 bytes long.
 Data: < &#142;:Y            > 00 8E 3A 59 0B 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x0000020B593B2CA0, 16 bytes long.
 Data: <&#216; :Y            > D8 8D 3A 59 0B 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x0000020B593ADA20, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{277} normal block at 0x0000020B593B3470, 16 bytes long.
 Data: <&#176; :Y            > B0 8D 3A 59 0B 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x0000020B593A8DB0, 320 bytes long.
 Data: <p4;Y     &#218;:Y    > 70 34 3B 59 0B 02 00 00 20 DA 3A 59 0B 02 00 00 
{275} normal block at 0x0000020B593B34C0, 16 bytes long.
 Data: <&#176;8;Y            > B0 38 3B 59 0B 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x0000020B593B3100, 16 bytes long.
 Data: < 8;Y            > 88 38 3B 59 0B 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x0000020B593AD840, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{272} normal block at 0x0000020B593B33D0, 16 bytes long.
 Data: <`8;Y            > 60 38 3B 59 0B 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x0000020B593ADC60, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{270} normal block at 0x0000020B593B3060, 16 bytes long.
 Data: <&#168;7;Y            > A8 37 3B 59 0B 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x0000020B593B2AC0, 16 bytes long.
 Data: < 7;Y            > 80 37 3B 59 0B 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x0000020B593B3240, 16 bytes long.
 Data: <X7;Y            > 58 37 3B 59 0B 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x0000020B593B3420, 16 bytes long.
 Data: <07;Y            > 30 37 3B 59 0B 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x0000020B593B3380, 16 bytes long.
 Data: < 7;Y            > 08 37 3B 59 0B 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x0000020B593B2A20, 16 bytes long.
 Data: <&#224;6;Y            > E0 36 3B 59 0B 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x0000020B593B27F0, 16 bytes long.
 Data: <&#224;&#193;9Y            > E0 C1 39 59 0B 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x0000020B5939C1E0, 40 bytes long.
 Data: <&#240;';Y     n [    > F0 27 3B 59 0B 02 00 00 80 6E 1B 5B 0B 02 00 00 
{261} normal block at 0x0000020B593B2A70, 16 bytes long.
 Data: <&#192;6;Y            > C0 36 3B 59 0B 02 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x0000020B593B2750, 16 bytes long.
 Data: < 6;Y            > 98 36 3B 59 0B 02 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x0000020B593AE2C0, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{258} normal block at 0x0000020B593B2930, 16 bytes long.
 Data: <p6;Y            > 70 36 3B 59 0B 02 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x0000020B593B3670, 992 bytes long.
 Data: <0);Y    &#192;&#226;:Y    > 30 29 3B 59 0B 02 00 00 C0 E2 3A 59 0B 02 00 00 
{93} normal block at 0x0000020B593AE140, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{92} normal block at 0x0000020B593ACD60, 16 bytes long.
 Data: < &#221;9Y            > 00 DD 39 59 0B 02 00 00 00 00 00 00 00 00 00 00 
{91} normal block at 0x0000020B5939DD00, 40 bytes long.
 Data: <`&#205;:Y    @&#225;:Y    > 60 CD 3A 59 0B 02 00 00 40 E1 3A 59 0B 02 00 00 
{70} normal block at 0x0000020B593AD670, 16 bytes long.
 Data: < &#234;&#205;k&#247;           > 80 EA CD 6B F7 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x0000020B593ACCC0, 16 bytes long.
 Data: <@&#233;&#205;k&#247;           > 40 E9 CD 6B F7 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x0000020B593ACD10, 16 bytes long.
 Data: <&#248;W&#202;k&#247;           > F8 57 CA 6B F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x0000020B593AD580, 16 bytes long.
 Data: <&#216;W&#202;k&#247;           > D8 57 CA 6B F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x0000020B593AD030, 16 bytes long.
 Data: <P &#202;k&#247;           > 50 04 CA 6B F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x0000020B593AC9A0, 16 bytes long.
 Data: <0 &#202;k&#247;           > 30 04 CA 6B F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x0000020B593AD3A0, 16 bytes long.
 Data: <&#224; &#202;k&#247;           > E0 02 CA 6B F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x0000020B593AD6C0, 16 bytes long.
 Data: <  &#202;k&#247;           > 10 04 CA 6B F7 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x0000020B593AD0D0, 16 bytes long.
 Data: <p &#202;k&#247;           > 70 04 CA 6B F7 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x0000020B593ACC20, 16 bytes long.
 Data: < &#192;&#200;k&#247;           > 18 C0 C8 6B F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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