Task 38698986

Name test_267-GPUGRID_TEST_ATM_40STEP_20261023-29-40-RND5916_1
Workunit 31639441
Created 3 Nov 2026, 9:35:29 UTC
Sent 3 Nov 2026, 9:35:37 UTC
Report deadline 8 Nov 2026, 9:35:37 UTC
Received 3 Nov 2026, 10:08:41 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 641350
Run time 28 min 49 sec
CPU time 27 min 28 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 19,410.98 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 721.58 MB
Peak swap size 5.38 GB
Peak disk usage 3.11 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
10:40:38 (3120): wrapper (7.9.26016): starting
10:40:38 (3120): 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
10:40:39 (3120): Library/usr/bin/tar.exe exited; CPU time 0.000000
10:40:39 (3120): 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
11:08:25 (3120): C:/Windows/system32/cmd.exe exited; CPU time 1648.375000
11:08:25 (3120): 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: 24995447 bytes.
Dumping objects ->
{3835240} normal block at 0x0000024F78DB5480, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835229} normal block at 0x0000024F78DB52C0, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835218} normal block at 0x0000024F78DB5790, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835207} normal block at 0x0000024F78DB5250, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835196} normal block at 0x0000024F78DB5950, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835165} normal block at 0x0000024F7AB3AC40, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835154} normal block at 0x0000024F7AB4F7E0, 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) : {3835151} normal block at 0x0000024F78DAE3B0, 8 bytes long.
 Data: <  0yO   > 00 00 30 79 4F 02 00 00 
{3834545} normal block at 0x0000024F7AB4FC00, 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 0x0000024F78DAE4A0, 8 bytes long.
 Data: < M&#219;xO   > 20 4D DB 78 4F 02 00 00 
..\zip\boinc_zip.cpp(122) : {312} normal block at 0x0000024F78DB1D10, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x0000024F78DA6D20, 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 0x0000024F78DB6950, 16 bytes long.
 Data: <Hq&#219;xO           > 48 71 DB 78 4F 02 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x0000024F78DB6770, 16 bytes long.
 Data: < q&#219;xO           > 20 71 DB 78 4F 02 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x0000024F78DB0000, 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 0x0000024F78DB6180, 16 bytes long.
 Data: <&#248;p&#219;xO           > F8 70 DB 78 4F 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x0000024F78DB6090, 16 bytes long.
 Data: <&#208;p&#219;xO           > D0 70 DB 78 4F 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x0000024F78DB5F50, 16 bytes long.
 Data: <&#168;p&#219;xO           > A8 70 DB 78 4F 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x0000024F78DB6900, 16 bytes long.
 Data: < p&#219;xO           > 80 70 DB 78 4F 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x0000024F78DB5410, 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 0x0000024F78DB6270, 16 bytes long.
 Data: <h&#249;&#217;xO           > 68 F9 D9 78 4F 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x0000024F78DB06C0, 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 0x0000024F78DB5F00, 16 bytes long.
 Data: <@&#249;&#217;xO           > 40 F9 D9 78 4F 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x0000024F78DB6130, 16 bytes long.
 Data: < &#249;&#217;xO           > 18 F9 D9 78 4F 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x0000024F78DB5EB0, 16 bytes long.
 Data: <&#240;&#248;&#217;xO           > F0 F8 D9 78 4F 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x0000024F78DB63B0, 16 bytes long.
 Data: <&#200;&#248;&#217;xO           > C8 F8 D9 78 4F 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x0000024F78DB6DB0, 16 bytes long.
 Data: <&#160;&#248;&#217;xO           > A0 F8 D9 78 4F 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x0000024F78DB6BD0, 16 bytes long.
 Data: <x&#248;&#217;xO           > 78 F8 D9 78 4F 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x0000024F78DB0360, 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 0x0000024F78DB67C0, 16 bytes long.
 Data: <P&#248;&#217;xO           > 50 F8 D9 78 4F 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x0000024F78D9F850, 320 bytes long.
 Data: <&#192;g&#219;xO   ` &#219;xO   > C0 67 DB 78 4F 02 00 00 60 03 DB 78 4F 02 00 00 
{276} normal block at 0x0000024F78DB6C70, 16 bytes long.
 Data: <`p&#219;xO           > 60 70 DB 78 4F 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x0000024F78DB5E60, 16 bytes long.
 Data: <8p&#219;xO           > 38 70 DB 78 4F 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x0000024F78DAFEE0, 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 0x0000024F78DB6D60, 16 bytes long.
 Data: < p&#219;xO           > 10 70 DB 78 4F 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x0000024F78DB0300, 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 0x0000024F78DB6630, 16 bytes long.
 Data: <Xo&#219;xO           > 58 6F DB 78 4F 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x0000024F78DB60E0, 16 bytes long.
 Data: <0o&#219;xO           > 30 6F DB 78 4F 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x0000024F78DB62C0, 16 bytes long.
 Data: < o&#219;xO           > 08 6F DB 78 4F 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x0000024F78DB6D10, 16 bytes long.
 Data: <&#224;n&#219;xO           > E0 6E DB 78 4F 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x0000024F78DB64F0, 16 bytes long.
 Data: <&#184;n&#219;xO           > B8 6E DB 78 4F 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x0000024F78DB6040, 16 bytes long.
 Data: < n&#219;xO           > 90 6E DB 78 4F 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x0000024F78DB6310, 16 bytes long.
 Data: <&#176;V&#219;xO           > B0 56 DB 78 4F 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x0000024F78DB56B0, 40 bytes long.
 Data: < c&#219;xO   @&#172;&#179;zO   > 10 63 DB 78 4F 02 00 00 40 AC B3 7A 4F 02 00 00 
{262} normal block at 0x0000024F78DB5FF0, 16 bytes long.
 Data: <pn&#219;xO           > 70 6E DB 78 4F 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x0000024F78DB6360, 16 bytes long.
 Data: <Hn&#219;xO           > 48 6E DB 78 4F 02 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x0000024F78DB0660, 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 0x0000024F78DB69F0, 16 bytes long.
 Data: < n&#219;xO           > 20 6E DB 78 4F 02 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x0000024F78DB6E20, 992 bytes long.
 Data: <&#240;i&#219;xO   ` &#219;xO   > F0 69 DB 78 4F 02 00 00 60 06 DB 78 4F 02 00 00 
{94} normal block at 0x0000024F78DAF820, 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 0x0000024F78DAE6D0, 16 bytes long.
 Data: <&#224;&#244;&#217;xO           > E0 F4 D9 78 4F 02 00 00 00 00 00 00 00 00 00 00 
{92} normal block at 0x0000024F78D9F4E0, 40 bytes long.
 Data: <&#208;&#230;&#218;xO    &#248;&#218;xO   > D0 E6 DA 78 4F 02 00 00 20 F8 DA 78 4F 02 00 00 
{71} normal block at 0x0000024F78DADC80, 16 bytes long.
 Data: < &#234; U&#247;           > 80 EA 20 55 F7 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x0000024F78DADAA0, 16 bytes long.
 Data: <@&#233; U&#247;           > 40 E9 20 55 F7 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x0000024F78DAE360, 16 bytes long.
 Data: <&#248;W U&#247;           > F8 57 1D 55 F7 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x0000024F78DAE1D0, 16 bytes long.
 Data: <&#216;W U&#247;           > D8 57 1D 55 F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x0000024F78DADCD0, 16 bytes long.
 Data: <P  U&#247;           > 50 04 1D 55 F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x0000024F78DAE180, 16 bytes long.
 Data: <0  U&#247;           > 30 04 1D 55 F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x0000024F78DAE400, 16 bytes long.
 Data: <&#224;  U&#247;           > E0 02 1D 55 F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x0000024F78DAE680, 16 bytes long.
 Data: <   U&#247;           > 10 04 1D 55 F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x0000024F78DAE130, 16 bytes long.
 Data: <p  U&#247;           > 70 04 1D 55 F7 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x0000024F78DAE310, 16 bytes long.
 Data: < &#192; U&#247;           > 18 C0 1B 55 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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