Task 38685393

Name test_765-GPUGRID_TEST_ATM_40STEP_20261023-25-40-RND7021_0
Workunit 31626860
Created 27 Oct 2026, 20:49:51 UTC
Sent 27 Oct 2026, 20:49:53 UTC
Report deadline 1 Nov 2026, 20:49:53 UTC
Received 27 Oct 2026, 21:24:12 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 615534
Run time 33 min 27 sec
CPU time 30 min 50 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 9,066.02 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 690.36 MB
Peak swap size 3.74 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.0.2</core_client_version>
<![CDATA[
<stderr_txt>
21:51:42 (11864): wrapper (7.9.26016): starting
21:51:42 (11864): 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
21:51:44 (11864): Library/usr/bin/tar.exe exited; CPU time 0.015625
21:51:44 (11864): 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\6\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\6\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
22:23:44 (11864): C:/Windows/system32/cmd.exe exited; CPU time 1850.296875
22:23:44 (11864): called boinc_finish(0)
0 bytes in 0 Free Blocks.
538 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: 25660165 bytes.
Dumping objects ->
{3835311} normal block at 0x00000133DA75A340, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835300} normal block at 0x00000133DA759A80, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835289} normal block at 0x00000133DA734A20, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835278} normal block at 0x00000133DA734DA0, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835267} normal block at 0x00000133DA7348D0, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835236} normal block at 0x00000133DC3F6440, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835225} normal block at 0x00000133DA799840, 141 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) : {3835222} normal block at 0x00000133DA72EA60, 8 bytes long.
 Data: <  &#187;&#218;3   > 00 00 BB DA 33 01 00 00 
{3834575} normal block at 0x00000133DA799C50, 141 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833957} normal block at 0x00000133DA72E880, 8 bytes long.
 Data: <&#176;GH&#220;3   > B0 47 48 DC 33 01 00 00 
..\zip\boinc_zip.cpp(122) : {310} normal block at 0x00000133DA730710, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x00000133DA7260A0, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{294} normal block at 0x00000133DA735640, 16 bytes long.
 Data: < fs&#218;3           > 08 66 73 DA 33 01 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x00000133DA735D70, 16 bytes long.
 Data: <&#224;es&#218;3           > E0 65 73 DA 33 01 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x00000133DA72F4C0, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{291} normal block at 0x00000133DA735460, 16 bytes long.
 Data: <&#184;es&#218;3           > B8 65 73 DA 33 01 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x00000133DA735550, 16 bytes long.
 Data: < es&#218;3           > 90 65 73 DA 33 01 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x00000133DA7361D0, 16 bytes long.
 Data: <hes&#218;3           > 68 65 73 DA 33 01 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x00000133DA7357D0, 16 bytes long.
 Data: <@es&#218;3           > 40 65 73 DA 33 01 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x00000133DA734B70, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{286} normal block at 0x00000133DA736270, 16 bytes long.
 Data: < &#142;r&#218;3           > 08 8E 72 DA 33 01 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x00000133DA72FCA0, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{284} normal block at 0x00000133DA736090, 16 bytes long.
 Data: <&#224; r&#218;3           > E0 8D 72 DA 33 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x00000133DA736180, 16 bytes long.
 Data: <&#184; r&#218;3           > B8 8D 72 DA 33 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x00000133DA7356E0, 16 bytes long.
 Data: <  r&#218;3           > 90 8D 72 DA 33 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x00000133DA735960, 16 bytes long.
 Data: <h r&#218;3           > 68 8D 72 DA 33 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x00000133DA735B90, 16 bytes long.
 Data: <@ r&#218;3           > 40 8D 72 DA 33 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x00000133DA735E60, 16 bytes long.
 Data: <  r&#218;3           > 18 8D 72 DA 33 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x00000133DA72F9A0, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{276} normal block at 0x00000133DA735F00, 16 bytes long.
 Data: <&#240;&#140;r&#218;3           > F0 8C 72 DA 33 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x00000133DA728CF0, 320 bytes long.
 Data: < _s&#218;3   &#160;&#249;r&#218;3   > 00 5F 73 DA 33 01 00 00 A0 F9 72 DA 33 01 00 00 
{274} normal block at 0x00000133DA735DC0, 16 bytes long.
 Data: < es&#218;3           > 20 65 73 DA 33 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x00000133DA735EB0, 16 bytes long.
 Data: <&#248;ds&#218;3           > F8 64 73 DA 33 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x00000133DA72F460, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{271} normal block at 0x00000133DA7353C0, 16 bytes long.
 Data: <&#208;ds&#218;3           > D0 64 73 DA 33 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x00000133DA72FE20, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{269} normal block at 0x00000133DA735370, 16 bytes long.
 Data: < ds&#218;3           > 18 64 73 DA 33 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x00000133DA7355F0, 16 bytes long.
 Data: <&#240;cs&#218;3           > F0 63 73 DA 33 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x00000133DA736130, 16 bytes long.
 Data: <&#200;cs&#218;3           > C8 63 73 DA 33 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x00000133DA735320, 16 bytes long.
 Data: <&#160;cs&#218;3           > A0 63 73 DA 33 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x00000133DA735D20, 16 bytes long.
 Data: <xcs&#218;3           > 78 63 73 DA 33 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x00000133DA736220, 16 bytes long.
 Data: <Pcs&#218;3           > 50 63 73 DA 33 01 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x00000133DA7358C0, 16 bytes long.
 Data: <&#240;Gs&#218;3           > F0 47 73 DA 33 01 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x00000133DA7347F0, 40 bytes long.
 Data: <&#192;Xs&#218;3   @d?&#220;3   > C0 58 73 DA 33 01 00 00 40 64 3F DC 33 01 00 00 
{260} normal block at 0x00000133DA735C30, 16 bytes long.
 Data: <0cs&#218;3           > 30 63 73 DA 33 01 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x00000133DA735500, 16 bytes long.
 Data: < cs&#218;3           > 08 63 73 DA 33 01 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x00000133DA72FFA0, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{257} normal block at 0x00000133DA735410, 16 bytes long.
 Data: <&#224;bs&#218;3           > E0 62 73 DA 33 01 00 00 00 00 00 00 00 00 00 00 
{256} normal block at 0x00000133DA7362E0, 992 bytes long.
 Data: < Ts&#218;3   &#160;&#255;r&#218;3   > 10 54 73 DA 33 01 00 00 A0 FF 72 DA 33 01 00 00 
{92} normal block at 0x00000133DA730240, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{91} normal block at 0x00000133DA72F230, 16 bytes long.
 Data: <&#160;&#210;q&#218;3           > A0 D2 71 DA 33 01 00 00 00 00 00 00 00 00 00 00 
{90} normal block at 0x00000133DA71D2A0, 40 bytes long.
 Data: <0&#242;r&#218;3   @ s&#218;3   > 30 F2 72 DA 33 01 00 00 40 02 73 DA 33 01 00 00 
{69} normal block at 0x00000133DA72E4C0, 16 bytes long.
 Data: < &#234;  &#247;           > 80 EA 12 07 F7 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x00000133DA72E330, 16 bytes long.
 Data: <@&#233;  &#247;           > 40 E9 12 07 F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x00000133DA72E970, 16 bytes long.
 Data: <&#248;W  &#247;           > F8 57 0F 07 F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x00000133DA72ED80, 16 bytes long.
 Data: <&#216;W  &#247;           > D8 57 0F 07 F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x00000133DA72E7E0, 16 bytes long.
 Data: <P   &#247;           > 50 04 0F 07 F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x00000133DA72E740, 16 bytes long.
 Data: <0   &#247;           > 30 04 0F 07 F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x00000133DA72E920, 16 bytes long.
 Data: <&#224;   &#247;           > E0 02 0F 07 F7 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x00000133DA72F000, 16 bytes long.
 Data: <    &#247;           > 10 04 0F 07 F7 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x00000133DA72ED30, 16 bytes long.
 Data: <p   &#247;           > 70 04 0F 07 F7 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x00000133DA72E3D0, 16 bytes long.
 Data: < &#192;  &#247;           > 18 C0 0D 07 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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