Task 38685077

Name test_435-GPUGRID_TEST_ATM_40STEP_20261023-18-40-RND5744_0
Workunit 31626564
Created 27 Oct 2026, 19:14:56 UTC
Sent 27 Oct 2026, 19:15:07 UTC
Report deadline 1 Nov 2026, 19:15:07 UTC
Received 27 Oct 2026, 20:45:21 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 638094
Run time 21 min 41 sec
CPU time 19 min 54 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 743.18 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>
07:24:05 (30812): wrapper (7.9.26016): starting
07:24:05 (30812): 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
07:24:06 (30812): Library/usr/bin/tar.exe exited; CPU time 0.000000
07:24:06 (30812): 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
07:44:50 (30812): C:/Windows/system32/cmd.exe exited; CPU time 1194.546875
07:44:50 (30812): 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: 23119033 bytes.
Dumping objects ->
{3835653} normal block at 0x00000187D7E4D4D0, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835642} normal block at 0x00000187D7E4CC10, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835631} normal block at 0x00000187D6144C50, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835620} normal block at 0x00000187D6144BE0, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835609} normal block at 0x00000187D6144B70, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835578} normal block at 0x00000187D7E94520, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835567} normal block at 0x00000187D7EAED40, 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) : {3835564} normal block at 0x00000187D613F670, 8 bytes long.
 Data: <  U&#214;&#135;   > 00 00 55 D6 87 01 00 00 
{3834735} normal block at 0x00000187D7EAEC90, 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 0x00000187D613F2B0, 8 bytes long.
 Data: <&#160;@ &#214;&#135;   > A0 40 14 D6 87 01 00 00 
..\zip\boinc_zip.cpp(122) : {317} normal block at 0x00000187D61411C0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{302} normal block at 0x00000187D6136240, 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 0x00000187D6145EE0, 16 bytes long.
 Data: <&#200;g &#214;&#135;           > C8 67 14 D6 87 01 00 00 00 00 00 00 00 00 00 00 
{300} normal block at 0x00000187D6145E40, 16 bytes long.
 Data: <&#160;g &#214;&#135;           > A0 67 14 D6 87 01 00 00 00 00 00 00 00 00 00 00 
{299} normal block at 0x00000187D613DAD0, 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 0x00000187D61458A0, 16 bytes long.
 Data: <xg &#214;&#135;           > 78 67 14 D6 87 01 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x00000187D6145CB0, 16 bytes long.
 Data: <Pg &#214;&#135;           > 50 67 14 D6 87 01 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x00000187D6145B20, 16 bytes long.
 Data: <(g &#214;&#135;           > 28 67 14 D6 87 01 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x00000187D61454E0, 16 bytes long.
 Data: < g &#214;&#135;           > 00 67 14 D6 87 01 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x00000187D6144D30, 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 0x00000187D61455D0, 16 bytes long.
 Data: <xS &#214;&#135;           > 78 53 14 D6 87 01 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x00000187D613D530, 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 0x00000187D6145C10, 16 bytes long.
 Data: <PS &#214;&#135;           > 50 53 14 D6 87 01 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x00000187D6146200, 16 bytes long.
 Data: <(S &#214;&#135;           > 28 53 14 D6 87 01 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x00000187D6146340, 16 bytes long.
 Data: < S &#214;&#135;           > 00 53 14 D6 87 01 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x00000187D6146070, 16 bytes long.
 Data: <&#216;R &#214;&#135;           > D8 52 14 D6 87 01 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x00000187D6145850, 16 bytes long.
 Data: <&#176;R &#214;&#135;           > B0 52 14 D6 87 01 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x00000187D6145940, 16 bytes long.
 Data: < R &#214;&#135;           > 88 52 14 D6 87 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x00000187D613D470, 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 0x00000187D6146160, 16 bytes long.
 Data: <`R &#214;&#135;           > 60 52 14 D6 87 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x00000187D6145260, 320 bytes long.
 Data: <`a &#214;&#135;   p&#212; &#214;&#135;   > 60 61 14 D6 87 01 00 00 70 D4 13 D6 87 01 00 00 
{281} normal block at 0x00000187D6145800, 16 bytes long.
 Data: <&#224;f &#214;&#135;           > E0 66 14 D6 87 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x00000187D6145710, 16 bytes long.
 Data: <&#184;f &#214;&#135;           > B8 66 14 D6 87 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x00000187D613DA10, 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 0x00000187D6145BC0, 16 bytes long.
 Data: < f &#214;&#135;           > 90 66 14 D6 87 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x00000187D613DBF0, 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 0x00000187D6145FD0, 16 bytes long.
 Data: <&#216;e &#214;&#135;           > D8 65 14 D6 87 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x00000187D6145B70, 16 bytes long.
 Data: <&#176;e &#214;&#135;           > B0 65 14 D6 87 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x00000187D6145990, 16 bytes long.
 Data: < e &#214;&#135;           > 88 65 14 D6 87 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x00000187D6145DF0, 16 bytes long.
 Data: <`e &#214;&#135;           > 60 65 14 D6 87 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x00000187D6146250, 16 bytes long.
 Data: <8e &#214;&#135;           > 38 65 14 D6 87 01 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x00000187D61462F0, 16 bytes long.
 Data: < e &#214;&#135;           > 10 65 14 D6 87 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x00000187D61458F0, 16 bytes long.
 Data: < G &#214;&#135;           > 80 47 14 D6 87 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x00000187D6144780, 40 bytes long.
 Data: <&#240;X &#214;&#135;    E&#233;&#215;&#135;   > F0 58 14 D6 87 01 00 00 20 45 E9 D7 87 01 00 00 
{267} normal block at 0x00000187D6145670, 16 bytes long.
 Data: <&#240;d &#214;&#135;           > F0 64 14 D6 87 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x00000187D61457B0, 16 bytes long.
 Data: <&#200;d &#214;&#135;           > C8 64 14 D6 87 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x00000187D613D9B0, 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 0x00000187D6145D50, 16 bytes long.
 Data: <&#160;d &#214;&#135;           > A0 64 14 D6 87 01 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x00000187D61464A0, 992 bytes long.
 Data: <P] &#214;&#135;   &#176;&#217; &#214;&#135;   > 50 5D 14 D6 87 01 00 00 B0 D9 13 D6 87 01 00 00 
{99} normal block at 0x00000187D613DFB0, 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 0x00000187D613F800, 16 bytes long.
 Data: <&#240;&#231; &#214;&#135;           > F0 E7 12 D6 87 01 00 00 00 00 00 00 00 00 00 00 
{97} normal block at 0x00000187D612E7F0, 40 bytes long.
 Data: < &#248; &#214;&#135;   &#176;&#223; &#214;&#135;   > 00 F8 13 D6 87 01 00 00 B0 DF 13 D6 87 01 00 00 
{76} normal block at 0x00000187D613F350, 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 0x00000187D613EB80, 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 0x00000187D613ED10, 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 0x00000187D613F490, 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 0x00000187D613F710, 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 0x00000187D613F0D0, 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 0x00000187D613EBD0, 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 0x00000187D613F760, 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 0x00000187D613F530, 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 0x00000187D613F260, 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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