Task 38684367

Name test_305-GPUGRID_TEST_ATM_40STEP_20261023-24-40-RND5899_0
Workunit 31625882
Created 27 Oct 2026, 15:59:36 UTC
Sent 27 Oct 2026, 15:59:44 UTC
Report deadline 1 Nov 2026, 15:59:44 UTC
Received 27 Oct 2026, 16:54:30 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 653122
Run time 25 min 3 sec
CPU time 21 min 35 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 47,850.03 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 739.54 MB
Peak swap size 10.00 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
17:30:35 (23156): wrapper (7.9.26016): starting
17:30:35 (23156): 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
17:30:37 (23156): Library/usr/bin/tar.exe exited; CPU time 0.000000
17:30:37 (23156): 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\10\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\10\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: Exiting with failure status due to previous errors
17:54:03 (23156): C:/Windows/system32/cmd.exe exited; CPU time 1295.625000
17:54:03 (23156): called boinc_finish(0)
0 bytes in 0 Free Blocks.
256 bytes in 6 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: 27553491 bytes.
Dumping objects ->
{3835202} normal block at 0x000001FB82ABD1F0, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835191} normal block at 0x000001FB82ABC700, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835180} normal block at 0x000001FB82ABD0A0, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835169} normal block at 0x000001FB82ABCD20, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835158} normal block at 0x000001FB80E14B30, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835127} normal block at 0x000001FB82B0AA00, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
..\api\boinc_api.cpp(309) : {3835114} normal block at 0x000001FB80E0F460, 8 bytes long.
 Data: <    &#251;   > 00 00 1F 81 FB 01 00 00 
{3833965} normal block at 0x000001FB80E0F960, 8 bytes long.
 Data: < H&#185;&#130;&#251;   > 90 48 B9 82 FB 01 00 00 
..\zip\boinc_zip.cpp(122) : {314} normal block at 0x000001FB80E10E20, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{299} normal block at 0x000001FB80DFF040, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{298} normal block at 0x000001FB80E15E40, 16 bytes long.
 Data: <HX&#225; &#251;           > 48 58 E1 80 FB 01 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x000001FB80E167A0, 16 bytes long.
 Data: < X&#225; &#251;           > 20 58 E1 80 FB 01 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x000001FB80E0D9B0, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{295} normal block at 0x000001FB80E15DF0, 16 bytes long.
 Data: <&#248;W&#225; &#251;           > F8 57 E1 80 FB 01 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x000001FB80E160C0, 16 bytes long.
 Data: <&#208;W&#225; &#251;           > D0 57 E1 80 FB 01 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x000001FB80E16020, 16 bytes long.
 Data: <&#168;W&#225; &#251;           > A8 57 E1 80 FB 01 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x000001FB80E15DA0, 16 bytes long.
 Data: < W&#225; &#251;           > 80 57 E1 80 FB 01 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x000001FB80E146D0, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{290} normal block at 0x000001FB80E15CB0, 16 bytes long.
 Data: <&#184; &#224; &#251;           > B8 8F E0 80 FB 01 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x000001FB80E0DB30, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{288} normal block at 0x000001FB80E16660, 16 bytes long.
 Data: <  &#224; &#251;           > 90 8F E0 80 FB 01 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x000001FB80E16110, 16 bytes long.
 Data: <h &#224; &#251;           > 68 8F E0 80 FB 01 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x000001FB80E162F0, 16 bytes long.
 Data: <@ &#224; &#251;           > 40 8F E0 80 FB 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000001FB80E16340, 16 bytes long.
 Data: <  &#224; &#251;           > 18 8F E0 80 FB 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000001FB80E16520, 16 bytes long.
 Data: <&#240;&#142;&#224; &#251;           > F0 8E E0 80 FB 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000001FB80E15C10, 16 bytes long.
 Data: <&#200;&#142;&#224; &#251;           > C8 8E E0 80 FB 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000001FB80E0DDD0, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{280} normal block at 0x000001FB80E15FD0, 16 bytes long.
 Data: <&#160;&#142;&#224; &#251;           > A0 8E E0 80 FB 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000001FB80E08EA0, 320 bytes long.
 Data: <&#208;_&#225; &#251;   &#208;&#221;&#224; &#251;   > D0 5F E1 80 FB 01 00 00 D0 DD E0 80 FB 01 00 00 
{278} normal block at 0x000001FB80E15F80, 16 bytes long.
 Data: <`W&#225; &#251;           > 60 57 E1 80 FB 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000001FB80E15EE0, 16 bytes long.
 Data: <8W&#225; &#251;           > 38 57 E1 80 FB 01 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x000001FB80E0D230, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{275} normal block at 0x000001FB80E161B0, 16 bytes long.
 Data: < W&#225; &#251;           > 10 57 E1 80 FB 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x000001FB80E0D3B0, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{273} normal block at 0x000001FB80E16430, 16 bytes long.
 Data: <XV&#225; &#251;           > 58 56 E1 80 FB 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000001FB80E16390, 16 bytes long.
 Data: <0V&#225; &#251;           > 30 56 E1 80 FB 01 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x000001FB80E16070, 16 bytes long.
 Data: < V&#225; &#251;           > 08 56 E1 80 FB 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x000001FB80E15F30, 16 bytes long.
 Data: <&#224;U&#225; &#251;           > E0 55 E1 80 FB 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000001FB80E167F0, 16 bytes long.
 Data: <&#184;U&#225; &#251;           > B8 55 E1 80 FB 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000001FB80E0EE70, 16 bytes long.
 Data: < U&#225; &#251;           > 90 55 E1 80 FB 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000001FB80E0F730, 16 bytes long.
 Data: <&#176;G&#225; &#251;           > B0 47 E1 80 FB 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x000001FB80E147B0, 40 bytes long.
 Data: <0&#247;&#224; &#251;    &#170;&#176;&#130;&#251;   > 30 F7 E0 80 FB 01 00 00 00 AA B0 82 FB 01 00 00 
{264} normal block at 0x000001FB80E0F5F0, 16 bytes long.
 Data: <pU&#225; &#251;           > 70 55 E1 80 FB 01 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x000001FB80E0ED80, 16 bytes long.
 Data: <HU&#225; &#251;           > 48 55 E1 80 FB 01 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x000001FB80E0D1D0, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{261} normal block at 0x000001FB80E0F410, 16 bytes long.
 Data: < U&#225; &#251;           > 20 55 E1 80 FB 01 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x000001FB80E15520, 992 bytes long.
 Data: < &#244;&#224; &#251;   &#208;&#209;&#224; &#251;   > 10 F4 E0 80 FB 01 00 00 D0 D1 E0 80 FB 01 00 00 
{96} normal block at 0x000001FB80E0D950, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{95} normal block at 0x000001FB80E0EF60, 16 bytes long.
 Data: < L&#225; &#251;           > 10 4C E1 80 FB 01 00 00 00 00 00 00 00 00 00 00 
{94} normal block at 0x000001FB80E14C10, 40 bytes long.
 Data: <`&#239;&#224; &#251;   P&#217;&#224; &#251;   > 60 EF E0 80 FB 01 00 00 50 D9 E0 80 FB 01 00 00 
{73} normal block at 0x000001FB80E0F0A0, 16 bytes long.
 Data: < &#234;&#148;I&#247;           > 80 EA 94 49 F7 7F 00 00 00 00 00 00 00 00 00 00 
{72} normal block at 0x000001FB80E0EDD0, 16 bytes long.
 Data: <@&#233;&#148;I&#247;           > 40 E9 94 49 F7 7F 00 00 00 00 00 00 00 00 00 00 
{71} normal block at 0x000001FB80E0EA60, 16 bytes long.
 Data: <&#248;W&#145;I&#247;           > F8 57 91 49 F7 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x000001FB80E0EA10, 16 bytes long.
 Data: <&#216;W&#145;I&#247;           > D8 57 91 49 F7 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x000001FB80E0F320, 16 bytes long.
 Data: <P &#145;I&#247;           > 50 04 91 49 F7 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x000001FB80E0F2D0, 16 bytes long.
 Data: <0 &#145;I&#247;           > 30 04 91 49 F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x000001FB80E0F8C0, 16 bytes long.
 Data: <&#224; &#145;I&#247;           > E0 02 91 49 F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000001FB80E0F280, 16 bytes long.
 Data: <  &#145;I&#247;           > 10 04 91 49 F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000001FB80E0F0F0, 16 bytes long.
 Data: <p &#145;I&#247;           > 70 04 91 49 F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x000001FB80E0F550, 16 bytes long.
 Data: < &#192; I&#247;           > 18 C0 8F 49 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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