Task 38680249

Name test_363-GPUGRID_TEST_ATM_40STEP_20261023-18-40-RND1539_0
Workunit 31621978
Created 26 Oct 2026, 23:19:31 UTC
Sent 26 Oct 2026, 23:19:36 UTC
Report deadline 31 Oct 2026, 23:19:36 UTC
Received 27 Oct 2026, 0:44:14 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 625378
Run time 1 hours 24 min 38 sec
CPU time 1 hours 49 min 32 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 14,564.90 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 743.16 MB
Peak swap size 12.91 GB
Peak disk usage 3.11 GB

Stderr output

<core_client_version>8.2.4</core_client_version>
<![CDATA[
<stderr_txt>
17:25:47 (24588): wrapper (7.9.26016): starting
17:25:47 (24588): 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
17:25:48 (24588): Library/usr/bin/tar.exe exited; CPU time 0.000000
17:25:48 (24588): 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
18:43:37 (24588): C:/Windows/system32/cmd.exe exited; CPU time 6572.437500
18:43:37 (24588): called boinc_finish(0)
0 bytes in 0 Free Blocks.
496 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: 83908833 bytes.
Dumping objects ->
{3835871} normal block at 0x0000025867274690, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835860} normal block at 0x00000258653F59A0, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835849} normal block at 0x00000258653F5930, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835838} normal block at 0x00000258653F58C0, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835827} normal block at 0x00000258653F5850, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835796} normal block at 0x00000258671ECA10, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835785} normal block at 0x000002586541B180, 120 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) : {3835782} normal block at 0x00000258653EDF30, 8 bytes long.
 Data: <  &#138;eX   > 00 00 8A 65 58 02 00 00 
{3834849} normal block at 0x000002586541AD00, 120 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 0x00000258653EE980, 8 bytes long.
 Data: <p&#232; gX   > 70 E8 0F 67 58 02 00 00 
..\zip\boinc_zip.cpp(122) : {317} normal block at 0x00000258653F2530, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{302} normal block at 0x00000258653E7530, 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 0x00000258653F66B0, 16 bytes long.
 Data: <8w?eX           > 38 77 3F 65 58 02 00 00 00 00 00 00 00 00 00 00 
{300} normal block at 0x00000258653F6A70, 16 bytes long.
 Data: < w?eX           > 10 77 3F 65 58 02 00 00 00 00 00 00 00 00 00 00 
{299} normal block at 0x00000258653F06A0, 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 0x00000258653F6930, 16 bytes long.
 Data: <&#232;v?eX           > E8 76 3F 65 58 02 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x00000258653F6F20, 16 bytes long.
 Data: <&#192;v?eX           > C0 76 3F 65 58 02 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x00000258653F65C0, 16 bytes long.
 Data: < v?eX           > 98 76 3F 65 58 02 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x00000258653F6B10, 16 bytes long.
 Data: <pv?eX           > 70 76 3F 65 58 02 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x00000258653F55B0, 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 0x00000258653F6A20, 16 bytes long.
 Data: <&#232;&#250;=eX           > E8 FA 3D 65 58 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x00000258653F0460, 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 0x00000258653F69D0, 16 bytes long.
 Data: <&#192;&#250;=eX           > C0 FA 3D 65 58 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x00000258653F6520, 16 bytes long.
 Data: < &#250;=eX           > 98 FA 3D 65 58 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x00000258653F6FC0, 16 bytes long.
 Data: <p&#250;=eX           > 70 FA 3D 65 58 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x00000258653F6570, 16 bytes long.
 Data: <H&#250;=eX           > 48 FA 3D 65 58 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x00000258653F6980, 16 bytes long.
 Data: < &#250;=eX           > 20 FA 3D 65 58 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x00000258653F6F70, 16 bytes long.
 Data: <&#248;&#249;=eX           > F8 F9 3D 65 58 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x00000258653F0280, 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 0x00000258653F63E0, 16 bytes long.
 Data: <&#208;&#249;=eX           > D0 F9 3D 65 58 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x00000258653DF9D0, 320 bytes long.
 Data: <&#224;c?eX     ?eX   > E0 63 3F 65 58 02 00 00 80 02 3F 65 58 02 00 00 
{281} normal block at 0x00000258653F6660, 16 bytes long.
 Data: <Pv?eX           > 50 76 3F 65 58 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x00000258653F6340, 16 bytes long.
 Data: <(v?eX           > 28 76 3F 65 58 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x00000258653F03A0, 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 0x00000258653F6E80, 16 bytes long.
 Data: < v?eX           > 00 76 3F 65 58 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x00000258653F0340, 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 0x00000258653F62F0, 16 bytes long.
 Data: <Hu?eX           > 48 75 3F 65 58 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x00000258653F6C00, 16 bytes long.
 Data: < u?eX           > 20 75 3F 65 58 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x00000258653F7100, 16 bytes long.
 Data: <&#248;t?eX           > F8 74 3F 65 58 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x00000258653F67F0, 16 bytes long.
 Data: <&#208;t?eX           > D0 74 3F 65 58 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x00000258653F6ED0, 16 bytes long.
 Data: <&#168;t?eX           > A8 74 3F 65 58 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x00000258653F6E30, 16 bytes long.
 Data: < t?eX           > 80 74 3F 65 58 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x00000258653F6390, 16 bytes long.
 Data: <&#240;Z?eX           > F0 5A 3F 65 58 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x00000258653F5AF0, 40 bytes long.
 Data: < c?eX    &#202; gX   > 90 63 3F 65 58 02 00 00 10 CA 1E 67 58 02 00 00 
{267} normal block at 0x00000258653F6DE0, 16 bytes long.
 Data: <`t?eX           > 60 74 3F 65 58 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x00000258653F7060, 16 bytes long.
 Data: <8t?eX           > 38 74 3F 65 58 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x00000258653F0940, 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 0x00000258653F6CF0, 16 bytes long.
 Data: < t?eX           > 10 74 3F 65 58 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x00000258653F7410, 992 bytes long.
 Data: <&#240;l?eX   @	?eX   > F0 6C 3F 65 58 02 00 00 40 09 3F 65 58 02 00 00 
{99} normal block at 0x00000258653F0C40, 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 0x00000258653EE930, 16 bytes long.
 Data: <  >eX           > 20 07 3E 65 58 02 00 00 00 00 00 00 00 00 00 00 
{97} normal block at 0x00000258653E0720, 40 bytes long.
 Data: <0&#233;>eX   @ ?eX   > 30 E9 3E 65 58 02 00 00 40 0C 3F 65 58 02 00 00 
{76} normal block at 0x00000258653EDB70, 16 bytes long.
 Data: < &#234;&#135;>&#247;           > 80 EA 87 3E F7 7F 00 00 00 00 00 00 00 00 00 00 
{75} normal block at 0x00000258653EE430, 16 bytes long.
 Data: <@&#233;&#135;>&#247;           > 40 E9 87 3E F7 7F 00 00 00 00 00 00 00 00 00 00 
{74} normal block at 0x00000258653EE840, 16 bytes long.
 Data: <&#248;W&#132;>&#247;           > F8 57 84 3E F7 7F 00 00 00 00 00 00 00 00 00 00 
{73} normal block at 0x00000258653EE700, 16 bytes long.
 Data: <&#216;W&#132;>&#247;           > D8 57 84 3E F7 7F 00 00 00 00 00 00 00 00 00 00 
{72} normal block at 0x00000258653EE480, 16 bytes long.
 Data: <P &#132;>&#247;           > 50 04 84 3E F7 7F 00 00 00 00 00 00 00 00 00 00 
{71} normal block at 0x00000258653EE1B0, 16 bytes long.
 Data: <0 &#132;>&#247;           > 30 04 84 3E F7 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x00000258653EE2A0, 16 bytes long.
 Data: <&#224; &#132;>&#247;           > E0 02 84 3E F7 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x00000258653EE660, 16 bytes long.
 Data: <  &#132;>&#247;           > 10 04 84 3E F7 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x00000258653EE610, 16 bytes long.
 Data: <p &#132;>&#247;           > 70 04 84 3E F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x00000258653EE7F0, 16 bytes long.
 Data: < &#192;&#130;>&#247;           > 18 C0 82 3E F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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