Task 38677127

Name test_396-GPUGRID_TEST_ATM_40STEP_20261023-26-40-RND9497_0
Workunit 31619010
Created 26 Oct 2026, 13:22:50 UTC
Sent 26 Oct 2026, 13:22:56 UTC
Report deadline 31 Oct 2026, 13:22:56 UTC
Received 26 Oct 2026, 14:29:00 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 648461
Run time 32 min 55 sec
CPU time 31 min 3 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 21,377.06 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 715.33 MB
Peak swap size 9.92 GB
Peak disk usage 4.18 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
09:56:49 (40344): wrapper (7.9.26016): starting
09:56:49 (40344): 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
09:56:50 (40344): Library/usr/bin/tar.exe exited; CPU time 0.000000
09:56:50 (40344): 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\31\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\31\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
10:28:33 (40344): C:/Windows/system32/cmd.exe exited; CPU time 1863.640625
10:28:33 (40344): called boinc_finish(0)
0 bytes in 0 Free Blocks.
426 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: 40358532 bytes.
Dumping objects ->
{3835291} normal block at 0x00000174D39151D0, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835280} normal block at 0x00000174D3915080, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835269} normal block at 0x00000174D3914590, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835258} normal block at 0x00000174D3915010, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835247} normal block at 0x00000174D3914FA0, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835216} normal block at 0x00000174D38E1020, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835205} normal block at 0x00000174D57EAD60, 85 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) : {3835202} normal block at 0x00000174D3915830, 8 bytes long.
 Data: <  &#218;&#211;t   > 00 00 DA D3 74 01 00 00 
{3834578} normal block at 0x00000174D57EAAE0, 85 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 0x00000174D39166E0, 8 bytes long.
 Data: <p&#235;&#154;&#211;t   > 70 EB 9A D3 74 01 00 00 
..\zip\boinc_zip.cpp(122) : {317} normal block at 0x00000174D390A480, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{302} normal block at 0x00000174D38C67C0, 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 0x00000174D3915790, 16 bytes long.
 Data: <HV&#145;&#211;t           > 48 56 91 D3 74 01 00 00 00 00 00 00 00 00 00 00 
{300} normal block at 0x00000174D3915EC0, 16 bytes long.
 Data: < V&#145;&#211;t           > 20 56 91 D3 74 01 00 00 00 00 00 00 00 00 00 00 
{299} normal block at 0x00000174D390CB70, 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 0x00000174D3915DD0, 16 bytes long.
 Data: <&#248;U&#145;&#211;t           > F8 55 91 D3 74 01 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x00000174D39160F0, 16 bytes long.
 Data: <&#208;U&#145;&#211;t           > D0 55 91 D3 74 01 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x00000174D3915D80, 16 bytes long.
 Data: <&#168;U&#145;&#211;t           > A8 55 91 D3 74 01 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x00000174D3910B80, 16 bytes long.
 Data: < U&#145;&#211;t           > 80 55 91 D3 74 01 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x00000174D3914DE0, 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 0x00000174D3910F40, 16 bytes long.
 Data: < O&#142;&#211;t           > 18 4F 8E D3 74 01 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x00000174D390D6B0, 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 0x00000174D3910AE0, 16 bytes long.
 Data: <&#240;N&#142;&#211;t           > F0 4E 8E D3 74 01 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x00000174D3910A90, 16 bytes long.
 Data: <&#200;N&#142;&#211;t           > C8 4E 8E D3 74 01 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x00000174D3910310, 16 bytes long.
 Data: <&#160;N&#142;&#211;t           > A0 4E 8E D3 74 01 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x00000174D3910900, 16 bytes long.
 Data: <xN&#142;&#211;t           > 78 4E 8E D3 74 01 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x00000174D39108B0, 16 bytes long.
 Data: <PN&#142;&#211;t           > 50 4E 8E D3 74 01 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x00000174D3910720, 16 bytes long.
 Data: <(N&#142;&#211;t           > 28 4E 8E D3 74 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x00000174D390CE10, 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 0x00000174D39101D0, 16 bytes long.
 Data: < N&#142;&#211;t           > 00 4E 8E D3 74 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x00000174D38E4E00, 320 bytes long.
 Data: <&#208; &#145;&#211;t    &#206; &#211;t   > D0 01 91 D3 74 01 00 00 10 CE 90 D3 74 01 00 00 
{281} normal block at 0x00000174D3910EA0, 16 bytes long.
 Data: <`U&#145;&#211;t           > 60 55 91 D3 74 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x00000174D39106D0, 16 bytes long.
 Data: <8U&#145;&#211;t           > 38 55 91 D3 74 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x00000174D390D5F0, 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 0x00000174D3910180, 16 bytes long.
 Data: < U&#145;&#211;t           > 10 55 91 D3 74 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x00000174D390D650, 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 0x00000174D3910270, 16 bytes long.
 Data: <XT&#145;&#211;t           > 58 54 91 D3 74 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x00000174D39100E0, 16 bytes long.
 Data: <0T&#145;&#211;t           > 30 54 91 D3 74 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x00000174D3910FE0, 16 bytes long.
 Data: < T&#145;&#211;t           > 08 54 91 D3 74 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x00000174D3910E50, 16 bytes long.
 Data: <&#224;S&#145;&#211;t           > E0 53 91 D3 74 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x00000174D39102C0, 16 bytes long.
 Data: <&#184;S&#145;&#211;t           > B8 53 91 D3 74 01 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x00000174D39107C0, 16 bytes long.
 Data: < S&#145;&#211;t           > 90 53 91 D3 74 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x00000174D3910860, 16 bytes long.
 Data: <@K&#145;&#211;t           > 40 4B 91 D3 74 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x00000174D3914B40, 40 bytes long.
 Data: <` &#145;&#211;t     &#142;&#211;t   > 60 08 91 D3 74 01 00 00 20 10 8E D3 74 01 00 00 
{267} normal block at 0x00000174D3910CC0, 16 bytes long.
 Data: <pS&#145;&#211;t           > 70 53 91 D3 74 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x00000174D39109F0, 16 bytes long.
 Data: <HS&#145;&#211;t           > 48 53 91 D3 74 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x00000174D390D590, 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 0x00000174D3910220, 16 bytes long.
 Data: < S&#145;&#211;t           > 20 53 91 D3 74 01 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x00000174D3915320, 992 bytes long.
 Data: <  &#145;&#211;t    &#213; &#211;t   > 20 02 91 D3 74 01 00 00 90 D5 90 D3 74 01 00 00 
{99} normal block at 0x00000174D390D710, 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 0x00000174D3910590, 16 bytes long.
 Data: <Pq &#211;t           > 50 71 90 D3 74 01 00 00 00 00 00 00 00 00 00 00 
{97} normal block at 0x00000174D3907150, 40 bytes long.
 Data: <  &#145;&#211;t    &#215; &#211;t   > 90 05 91 D3 74 01 00 00 10 D7 90 D3 74 01 00 00 
{76} normal block at 0x00000174D3910C70, 16 bytes long.
 Data: < &#234;&#234;k&#246;           > 80 EA EA 6B F6 7F 00 00 00 00 00 00 00 00 00 00 
{75} normal block at 0x00000174D3910130, 16 bytes long.
 Data: <@&#233;&#234;k&#246;           > 40 E9 EA 6B F6 7F 00 00 00 00 00 00 00 00 00 00 
{74} normal block at 0x00000174D39103B0, 16 bytes long.
 Data: <&#248;W&#231;k&#246;           > F8 57 E7 6B F6 7F 00 00 00 00 00 00 00 00 00 00 
{73} normal block at 0x00000174D3910400, 16 bytes long.
 Data: <&#216;W&#231;k&#246;           > D8 57 E7 6B F6 7F 00 00 00 00 00 00 00 00 00 00 
{72} normal block at 0x00000174D39104A0, 16 bytes long.
 Data: <P &#231;k&#246;           > 50 04 E7 6B F6 7F 00 00 00 00 00 00 00 00 00 00 
{71} normal block at 0x00000174D3910450, 16 bytes long.
 Data: <0 &#231;k&#246;           > 30 04 E7 6B F6 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x00000174D3910360, 16 bytes long.
 Data: <&#224; &#231;k&#246;           > E0 02 E7 6B F6 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x00000174D3910A40, 16 bytes long.
 Data: <  &#231;k&#246;           > 10 04 E7 6B F6 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x00000174D3910D10, 16 bytes long.
 Data: <p &#231;k&#246;           > 70 04 E7 6B F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x00000174D39104F0, 16 bytes long.
 Data: < &#192;&#229;k&#246;           > 18 C0 E5 6B F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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