Task 38686660

Name test_946-GPUGRID_TEST_ATM_40STEP_20261023-37-40-RND4737_0
Workunit 31628083
Created 28 Oct 2026, 3:45:57 UTC
Sent 28 Oct 2026, 3:46:04 UTC
Report deadline 2 Nov 2026, 3:46:04 UTC
Received 28 Oct 2026, 5:05:44 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 638094
Run time 22 min 7 sec
CPU time 21 min 5 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 41,014.83 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 748.41 MB
Peak swap size 12.99 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>7.24.1</core_client_version>
<![CDATA[
<stderr_txt>
15:43:51 (10536): wrapper (7.9.26016): starting
15:43:51 (10536): 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
15:43:52 (10536): Library/usr/bin/tar.exe exited; CPU time 0.000000
15:43:52 (10536): 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\34\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\34\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
16:05:08 (10536): C:/Windows/system32/cmd.exe exited; CPU time 1265.390625
16:05:08 (10536): 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: 23722615 bytes.
Dumping objects ->
{3835652} normal block at 0x0000012DEEF0CC10, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835641} normal block at 0x0000012DEEF0C740, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835630} normal block at 0x0000012DED2047F0, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835619} normal block at 0x0000012DED204780, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835608} normal block at 0x0000012DED204DA0, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835577} normal block at 0x0000012DEEF56CA0, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835566} normal block at 0x0000012DEEF6F160, 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) : {3835563} normal block at 0x0000012DED1FF030, 8 bytes long.
 Data: <   &#237;-   > 00 00 1C ED 2D 01 00 00 
{3834735} normal block at 0x0000012DEEF6EDF0, 102 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833971} normal block at 0x0000012DED1FF8A0, 8 bytes long.
 Data: <&#160;@ &#237;-   > A0 40 20 ED 2D 01 00 00 
..\zip\boinc_zip.cpp(122) : {317} normal block at 0x0000012DED200B80, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{302} normal block at 0x0000012DED1F6D80, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{301} normal block at 0x0000012DED205990, 16 bytes long.
 Data: <&#200;g &#237;-           > C8 67 20 ED 2D 01 00 00 00 00 00 00 00 00 00 00 
{300} normal block at 0x0000012DED205FD0, 16 bytes long.
 Data: <&#160;g &#237;-           > A0 67 20 ED 2D 01 00 00 00 00 00 00 00 00 00 00 
{299} normal block at 0x0000012DED1FD9B0, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{298} normal block at 0x0000012DED205B20, 16 bytes long.
 Data: <xg &#237;-           > 78 67 20 ED 2D 01 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x0000012DED205DF0, 16 bytes long.
 Data: <Pg &#237;-           > 50 67 20 ED 2D 01 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x0000012DED205DA0, 16 bytes long.
 Data: <(g &#237;-           > 28 67 20 ED 2D 01 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x0000012DED205D50, 16 bytes long.
 Data: < g &#237;-           > 00 67 20 ED 2D 01 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x0000012DED204940, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{293} normal block at 0x0000012DED205EE0, 16 bytes long.
 Data: <xS &#237;-           > 78 53 20 ED 2D 01 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x0000012DED1FE190, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{291} normal block at 0x0000012DED206160, 16 bytes long.
 Data: <PS &#237;-           > 50 53 20 ED 2D 01 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x0000012DED205AD0, 16 bytes long.
 Data: <(S &#237;-           > 28 53 20 ED 2D 01 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x0000012DED206110, 16 bytes long.
 Data: < S &#237;-           > 00 53 20 ED 2D 01 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x0000012DED205C60, 16 bytes long.
 Data: <&#216;R &#237;-           > D8 52 20 ED 2D 01 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x0000012DED2062A0, 16 bytes long.
 Data: <&#176;R &#237;-           > B0 52 20 ED 2D 01 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x0000012DED205CB0, 16 bytes long.
 Data: < R &#237;-           > 88 52 20 ED 2D 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x0000012DED1FD830, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{283} normal block at 0x0000012DED205580, 16 bytes long.
 Data: <`R &#237;-           > 60 52 20 ED 2D 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x0000012DED205260, 320 bytes long.
 Data: < U &#237;-   0&#216; &#237;-   > 80 55 20 ED 2D 01 00 00 30 D8 1F ED 2D 01 00 00 
{281} normal block at 0x0000012DED205F80, 16 bytes long.
 Data: <&#224;f &#237;-           > E0 66 20 ED 2D 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x0000012DED205F30, 16 bytes long.
 Data: <&#184;f &#237;-           > B8 66 20 ED 2D 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x0000012DED1FD590, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{278} normal block at 0x0000012DED205D00, 16 bytes long.
 Data: < f &#237;-           > 90 66 20 ED 2D 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x0000012DED1FE130, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{276} normal block at 0x0000012DED205710, 16 bytes long.
 Data: <&#216;e &#237;-           > D8 65 20 ED 2D 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x0000012DED2060C0, 16 bytes long.
 Data: <&#176;e &#237;-           > B0 65 20 ED 2D 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x0000012DED205C10, 16 bytes long.
 Data: < e &#237;-           > 88 65 20 ED 2D 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x0000012DED206390, 16 bytes long.
 Data: <`e &#237;-           > 60 65 20 ED 2D 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x0000012DED2058F0, 16 bytes long.
 Data: <8e &#237;-           > 38 65 20 ED 2D 01 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x0000012DED205670, 16 bytes long.
 Data: < e &#237;-           > 10 65 20 ED 2D 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x0000012DED2058A0, 16 bytes long.
 Data: < J &#237;-           > 20 4A 20 ED 2D 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x0000012DED204A20, 40 bytes long.
 Data: <&#160;X &#237;-   &#160;l&#245;&#238;-   > A0 58 20 ED 2D 01 00 00 A0 6C F5 EE 2D 01 00 00 
{267} normal block at 0x0000012DED205620, 16 bytes long.
 Data: <&#240;d &#237;-           > F0 64 20 ED 2D 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x0000012DED205940, 16 bytes long.
 Data: <&#200;d &#237;-           > C8 64 20 ED 2D 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x0000012DED1FDE30, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{264} normal block at 0x0000012DED2056C0, 16 bytes long.
 Data: <&#160;d &#237;-           > A0 64 20 ED 2D 01 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x0000012DED2064A0, 992 bytes long.
 Data: <&#192;V &#237;-   0&#222; &#237;-   > C0 56 20 ED 2D 01 00 00 30 DE 1F ED 2D 01 00 00 
{99} normal block at 0x0000012DED1FDE90, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{98} normal block at 0x0000012DED1FED10, 16 bytes long.
 Data: <&#240;&#231; &#237;-           > F0 E7 1E ED 2D 01 00 00 00 00 00 00 00 00 00 00 
{97} normal block at 0x0000012DED1EE7F0, 40 bytes long.
 Data: < &#237; &#237;-    &#222; &#237;-   > 10 ED 1F ED 2D 01 00 00 90 DE 1F ED 2D 01 00 00 
{76} normal block at 0x0000012DED1FF5D0, 16 bytes long.
 Data: < &#234;  &#247;           > 80 EA 13 80 F7 7F 00 00 00 00 00 00 00 00 00 00 
{75} normal block at 0x0000012DED1FEB80, 16 bytes long.
 Data: <@&#233;  &#247;           > 40 E9 13 80 F7 7F 00 00 00 00 00 00 00 00 00 00 
{74} normal block at 0x0000012DED1FEB30, 16 bytes long.
 Data: <&#248;W  &#247;           > F8 57 10 80 F7 7F 00 00 00 00 00 00 00 00 00 00 
{73} normal block at 0x0000012DED1FF170, 16 bytes long.
 Data: <&#216;W  &#247;           > D8 57 10 80 F7 7F 00 00 00 00 00 00 00 00 00 00 
{72} normal block at 0x0000012DED1FF6C0, 16 bytes long.
 Data: <P   &#247;           > 50 04 10 80 F7 7F 00 00 00 00 00 00 00 00 00 00 
{71} normal block at 0x0000012DED1FF350, 16 bytes long.
 Data: <0   &#247;           > 30 04 10 80 F7 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x0000012DED1FF080, 16 bytes long.
 Data: <&#224;   &#247;           > E0 02 10 80 F7 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x0000012DED1FF580, 16 bytes long.
 Data: <    &#247;           > 10 04 10 80 F7 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x0000012DED1FF670, 16 bytes long.
 Data: <p   &#247;           > 70 04 10 80 F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x0000012DED1FF800, 16 bytes long.
 Data: < &#192;  &#247;           > 18 C0 0E 80 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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