Task 38686876

Name test_775-GPUGRID_TEST_ATM_40STEP_20261023-31-40-RND7476_0
Workunit 31628285
Created 28 Oct 2026, 4:49:31 UTC
Sent 28 Oct 2026, 4:49:35 UTC
Report deadline 2 Nov 2026, 4:49:35 UTC
Received 28 Oct 2026, 5:17:09 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 198644
Run time 26 min 57 sec
CPU time 26 min 54 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 44,609.07 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 736.40 MB
Peak swap size 13.00 GB
Peak disk usage 3.02 GB

Stderr output

<core_client_version>8.0.2</core_client_version>
<![CDATA[
<stderr_txt>
21:50:38 (2564): wrapper (7.9.26016): starting
21:50:38 (2564): 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
21:50:39 (2564): Library/usr/bin/tar.exe exited; CPU time 0.000000
21:50:39 (2564): 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
22:16:42 (2564): C:/Windows/system32/cmd.exe exited; CPU time 1614.000000
22:16:42 (2564): 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: 17336707 bytes.
Dumping objects ->
{3835314} normal block at 0x000001D825366750, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835303} normal block at 0x000001D825366600, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835292} normal block at 0x000001D8253669F0, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835281} normal block at 0x000001D825366980, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835270} normal block at 0x000001D825366590, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835239} normal block at 0x000001D8270CC110, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835228} normal block at 0x000001D8270E0A60, 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) : {3835225} normal block at 0x000001D82535F0D0, 8 bytes long.
 Data: <  u%&#216;   > 00 00 75 25 D8 01 00 00 
{3834574} normal block at 0x000001D8270E0220, 102 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 0x000001D82535EEF0, 8 bytes long.
 Data: <pk '&#216;   > 70 6B 15 27 D8 01 00 00 
..\zip\boinc_zip.cpp(122) : {310} normal block at 0x000001D825360880, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x000001D82534ECB0, 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 0x000001D825366FD0, 16 bytes long.
 Data: <  6%&#216;           > 88 80 36 25 D8 01 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x000001D825367480, 16 bytes long.
 Data: <` 6%&#216;           > 60 80 36 25 D8 01 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x000001D82535FD10, 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 0x000001D825367700, 16 bytes long.
 Data: <8 6%&#216;           > 38 80 36 25 D8 01 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x000001D825367C50, 16 bytes long.
 Data: <  6%&#216;           > 10 80 36 25 D8 01 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x000001D8253678E0, 16 bytes long.
 Data: <&#232; 6%&#216;           > E8 7F 36 25 D8 01 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x000001D825367570, 16 bytes long.
 Data: <&#192; 6%&#216;           > C0 7F 36 25 D8 01 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x000001D825366AD0, 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 0x000001D8253672A0, 16 bytes long.
 Data: <&#200;&#181;4%&#216;           > C8 B5 34 25 D8 01 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x000001D8253600D0, 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 0x000001D825367890, 16 bytes long.
 Data: <&#160;&#181;4%&#216;           > A0 B5 34 25 D8 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000001D8253670C0, 16 bytes long.
 Data: <x&#181;4%&#216;           > 78 B5 34 25 D8 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000001D825367200, 16 bytes long.
 Data: <P&#181;4%&#216;           > 50 B5 34 25 D8 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000001D8253676B0, 16 bytes long.
 Data: <(&#181;4%&#216;           > 28 B5 34 25 D8 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000001D825367840, 16 bytes long.
 Data: < &#181;4%&#216;           > 00 B5 34 25 D8 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x000001D825367340, 16 bytes long.
 Data: <&#216;&#180;4%&#216;           > D8 B4 34 25 D8 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000001D82535FB90, 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 0x000001D825367CF0, 16 bytes long.
 Data: <&#176;&#180;4%&#216;           > B0 B4 34 25 D8 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000001D82534B4B0, 320 bytes long.
 Data: <&#240;|6%&#216;    &#251;5%&#216;   > F0 7C 36 25 D8 01 00 00 90 FB 35 25 D8 01 00 00 
{274} normal block at 0x000001D825366F80, 16 bytes long.
 Data: <&#160; 6%&#216;           > A0 7F 36 25 D8 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x000001D825367390, 16 bytes long.
 Data: <x 6%&#216;           > 78 7F 36 25 D8 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000001D8253602B0, 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 0x000001D825367A70, 16 bytes long.
 Data: <P 6%&#216;           > 50 7F 36 25 D8 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x000001D82535F9B0, 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 0x000001D8253672F0, 16 bytes long.
 Data: < ~6%&#216;           > 98 7E 36 25 D8 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000001D825367930, 16 bytes long.
 Data: <p~6%&#216;           > 70 7E 36 25 D8 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000001D8253677F0, 16 bytes long.
 Data: <H~6%&#216;           > 48 7E 36 25 D8 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000001D825367520, 16 bytes long.
 Data: < ~6%&#216;           > 20 7E 36 25 D8 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x000001D8253677A0, 16 bytes long.
 Data: <&#248;}6%&#216;           > F8 7D 36 25 D8 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000001D825367750, 16 bytes long.
 Data: <&#208;}6%&#216;           > D0 7D 36 25 D8 01 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x000001D8253671B0, 16 bytes long.
 Data: <&#160;h6%&#216;           > A0 68 36 25 D8 01 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x000001D8253668A0, 40 bytes long.
 Data: <&#176;q6%&#216;    &#193; '&#216;   > B0 71 36 25 D8 01 00 00 10 C1 0C 27 D8 01 00 00 
{260} normal block at 0x000001D825367660, 16 bytes long.
 Data: <&#176;}6%&#216;           > B0 7D 36 25 D8 01 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x000001D8253674D0, 16 bytes long.
 Data: < }6%&#216;           > 88 7D 36 25 D8 01 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x000001D82535F770, 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 0x000001D825367A20, 16 bytes long.
 Data: <`}6%&#216;           > 60 7D 36 25 D8 01 00 00 00 00 00 00 00 00 00 00 
{256} normal block at 0x000001D825367D60, 992 bytes long.
 Data: < z6%&#216;   p&#247;5%&#216;   > 20 7A 36 25 D8 01 00 00 70 F7 35 25 D8 01 00 00 
{92} normal block at 0x000001D82535FAD0, 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 0x000001D82535EC70, 16 bytes long.
 Data: < &#211;4%&#216;           > 90 D3 34 25 D8 01 00 00 00 00 00 00 00 00 00 00 
{90} normal block at 0x000001D82534D390, 40 bytes long.
 Data: <p&#236;5%&#216;   &#208;&#250;5%&#216;   > 70 EC 35 25 D8 01 00 00 D0 FA 35 25 D8 01 00 00 
{69} normal block at 0x000001D82535F120, 16 bytes long.
 Data: < &#234;T &#247;           > 80 EA 54 1F F7 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x000001D82535ECC0, 16 bytes long.
 Data: <@&#233;T &#247;           > 40 E9 54 1F F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x000001D82535E9A0, 16 bytes long.
 Data: <&#248;WQ &#247;           > F8 57 51 1F F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000001D82535E720, 16 bytes long.
 Data: <&#216;WQ &#247;           > D8 57 51 1F F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000001D82535F530, 16 bytes long.
 Data: <P Q &#247;           > 50 04 51 1F F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x000001D82535F210, 16 bytes long.
 Data: <0 Q &#247;           > 30 04 51 1F F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x000001D82535EE00, 16 bytes long.
 Data: <&#224; Q &#247;           > E0 02 51 1F F7 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x000001D82535EBD0, 16 bytes long.
 Data: <  Q &#247;           > 10 04 51 1F F7 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x000001D82535F260, 16 bytes long.
 Data: <p Q &#247;           > 70 04 51 1F F7 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x000001D82535F1C0, 16 bytes long.
 Data: < &#192;O &#247;           > 18 C0 4F 1F F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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