Task 38686275

Name test_413-GPUGRID_TEST_ATM_40STEP_20261023-35-40-RND0336_0
Workunit 31627713
Created 28 Oct 2026, 1:40:00 UTC
Sent 28 Oct 2026, 1:40:04 UTC
Report deadline 2 Nov 2026, 1:40:04 UTC
Received 28 Oct 2026, 2:16:39 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 198644
Run time 35 min 34 sec
CPU time 35 min 21 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 736.77 MB
Peak swap size 13.00 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.0.2</core_client_version>
<![CDATA[
<stderr_txt>
18:41:12 (9292): wrapper (7.9.26016): starting
18:41:12 (9292): 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
18:41:13 (9292): Library/usr/bin/tar.exe exited; CPU time 0.000000
18:41:13 (9292): 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\1\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\1\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
19:15:51 (9292): C:/Windows/system32/cmd.exe exited; CPU time 2121.531250
19:15:51 (9292): 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: 23277787 bytes.
Dumping objects ->
{3835314} normal block at 0x000001DB29523910, 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 0x000001DB29523830, 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 0x000001DB29523750, 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 0x000001DB295238A0, 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 0x000001DB29523590, 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 0x000001DB2B2B6710, 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 0x000001DB2B2CFC10, 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 0x000001DB2951E730, 8 bytes long.
 Data: <   )&#219;   > 00 00 8F 29 DB 01 00 00 
{3834574} normal block at 0x000001DB2B2CFB60, 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 0x000001DB2951F090, 8 bytes long.
 Data: <&#160;S1+&#219;   > A0 53 31 2B DB 01 00 00 
..\zip\boinc_zip.cpp(122) : {310} normal block at 0x000001DB29525990, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x000001DB2950C140, 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 0x000001DB295242E0, 16 bytes long.
 Data: <&#200;UR)&#219;           > C8 55 52 29 DB 01 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x000001DB295243D0, 16 bytes long.
 Data: <&#160;UR)&#219;           > A0 55 52 29 DB 01 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x000001DB29520500, 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 0x000001DB29524970, 16 bytes long.
 Data: <xUR)&#219;           > 78 55 52 29 DB 01 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x000001DB295251E0, 16 bytes long.
 Data: <PUR)&#219;           > 50 55 52 29 DB 01 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x000001DB29524920, 16 bytes long.
 Data: <(UR)&#219;           > 28 55 52 29 DB 01 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x000001DB29524C90, 16 bytes long.
 Data: < UR)&#219;           > 00 55 52 29 DB 01 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x000001DB29523AD0, 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 0x000001DB29524880, 16 bytes long.
 Data: <&#184;&#142;Q)&#219;           > B8 8E 51 29 DB 01 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x000001DB2951FCC0, 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 0x000001DB29524470, 16 bytes long.
 Data: < &#142;Q)&#219;           > 90 8E 51 29 DB 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000001DB29524E20, 16 bytes long.
 Data: <h&#142;Q)&#219;           > 68 8E 51 29 DB 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000001DB295247E0, 16 bytes long.
 Data: <@&#142;Q)&#219;           > 40 8E 51 29 DB 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000001DB29524B50, 16 bytes long.
 Data: < &#142;Q)&#219;           > 18 8E 51 29 DB 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000001DB29524830, 16 bytes long.
 Data: <&#240; Q)&#219;           > F0 8D 51 29 DB 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x000001DB29524A60, 16 bytes long.
 Data: <&#200; Q)&#219;           > C8 8D 51 29 DB 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000001DB295203E0, 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 0x000001DB29524F10, 16 bytes long.
 Data: <&#160; Q)&#219;           > A0 8D 51 29 DB 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000001DB29518DA0, 320 bytes long.
 Data: < OR)&#219;   &#224; R)&#219;   > 10 4F 52 29 DB 01 00 00 E0 03 52 29 DB 01 00 00 
{274} normal block at 0x000001DB29524380, 16 bytes long.
 Data: <&#224;TR)&#219;           > E0 54 52 29 DB 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x000001DB29525050, 16 bytes long.
 Data: <&#184;TR)&#219;           > B8 54 52 29 DB 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000001DB2951FB40, 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 0x000001DB29524330, 16 bytes long.
 Data: < TR)&#219;           > 90 54 52 29 DB 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x000001DB2951F6C0, 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 0x000001DB29524DD0, 16 bytes long.
 Data: <&#216;SR)&#219;           > D8 53 52 29 DB 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000001DB295248D0, 16 bytes long.
 Data: <&#176;SR)&#219;           > B0 53 52 29 DB 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000001DB29524C40, 16 bytes long.
 Data: < SR)&#219;           > 88 53 52 29 DB 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000001DB295246A0, 16 bytes long.
 Data: <`SR)&#219;           > 60 53 52 29 DB 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x000001DB29524BF0, 16 bytes long.
 Data: <8SR)&#219;           > 38 53 52 29 DB 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000001DB29525190, 16 bytes long.
 Data: < SR)&#219;           > 10 53 52 29 DB 01 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x000001DB29524790, 16 bytes long.
 Data: <&#240;9R)&#219;           > F0 39 52 29 DB 01 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x000001DB295239F0, 40 bytes long.
 Data: < GR)&#219;    g++&#219;   > 90 47 52 29 DB 01 00 00 10 67 2B 2B DB 01 00 00 
{260} normal block at 0x000001DB295244C0, 16 bytes long.
 Data: <&#240;RR)&#219;           > F0 52 52 29 DB 01 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x000001DB29524510, 16 bytes long.
 Data: <&#200;RR)&#219;           > C8 52 52 29 DB 01 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x000001DB2951FD20, 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 0x000001DB295250A0, 16 bytes long.
 Data: <&#160;RR)&#219;           > A0 52 52 29 DB 01 00 00 00 00 00 00 00 00 00 00 
{256} normal block at 0x000001DB295252A0, 992 bytes long.
 Data: <&#160;PR)&#219;    &#253;Q)&#219;   > A0 50 52 29 DB 01 00 00 20 FD 51 29 DB 01 00 00 
{92} normal block at 0x000001DB29520440, 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 0x000001DB2951F040, 16 bytes long.
 Data: <&#240;&#228;Q)&#219;           > F0 E4 51 29 DB 01 00 00 00 00 00 00 00 00 00 00 
{90} normal block at 0x000001DB2951E4F0, 40 bytes long.
 Data: <@&#240;Q)&#219;   @ R)&#219;   > 40 F0 51 29 DB 01 00 00 40 04 52 29 DB 01 00 00 
{69} normal block at 0x000001DB2951E6E0, 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 0x000001DB2951F360, 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 0x000001DB2951E9B0, 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 0x000001DB2951E690, 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 0x000001DB2951E640, 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 0x000001DB2951F0E0, 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 0x000001DB2951EBE0, 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 0x000001DB2951E960, 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 0x000001DB2951E910, 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 0x000001DB2951F130, 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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