Task 38674647

Name test_380-GPUGRID_TEST_ATM_40STEP_20261023-15-40-RND5402_0
Workunit 31616676
Created 26 Oct 2026, 5:55:53 UTC
Sent 26 Oct 2026, 5:56:00 UTC
Report deadline 31 Oct 2026, 5:56:00 UTC
Received 26 Oct 2026, 15:10:37 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 651032
Run time 1 hours 30 min 24 sec
CPU time 1 hours 16 min 59 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 2,503.42 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 712.02 MB
Peak swap size 6.72 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
14:42:16 (43184): wrapper (7.9.26016): starting
14:42:16 (43184): 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
14:42:20 (43184): Library/usr/bin/tar.exe exited; CPU time 0.015625
14:42:20 (43184): 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 'D:\BOINC\slots\16\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 'D:\BOINC\slots\16\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
16:10:14 (43184): C:/Windows/system32/cmd.exe exited; CPU time 4619.140625
16:10:14 (43184): called boinc_finish(0)
0 bytes in 0 Free Blocks.
456 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: 128359481 bytes.
Dumping objects ->
{3835538} normal block at 0x0000023BC85E77C0, 48 bytes long.
 Data: <PATH=D:\BOINC\sl> 50 41 54 48 3D 44 3A 5C 42 4F 49 4E 43 5C 73 6C 
{3835527} normal block at 0x0000023BCA2F8870, 32 bytes long.
 Data: <HOME=D:\BOINC\sl> 48 4F 4D 45 3D 44 3A 5C 42 4F 49 4E 43 5C 73 6C 
{3835516} normal block at 0x0000023BCA2F8AB0, 32 bytes long.
 Data: <TMP=D:\BOINC\slo> 54 4D 50 3D 44 3A 5C 42 4F 49 4E 43 5C 73 6C 6F 
{3835505} normal block at 0x0000023BCA2F89F0, 32 bytes long.
 Data: <TEMP=D:\BOINC\sl> 54 45 4D 50 3D 44 3A 5C 42 4F 49 4E 43 5C 73 6C 
{3835494} normal block at 0x0000023BCA2F8D50, 32 bytes long.
 Data: <TMPDIR=D:\BOINC\> 54 4D 50 44 49 52 3D 44 3A 5C 42 4F 49 4E 43 5C 
{3835463} normal block at 0x0000023BC85E7AD0, 48 bytes long.
 Data: <PATH=D:\BOINC\sl> 50 41 54 48 3D 44 3A 5C 42 4F 49 4E 43 5C 73 6C 
{3835452} normal block at 0x0000023BC864C1B0, 140 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) : {3835449} normal block at 0x0000023BC85DEAC0, 8 bytes long.
 Data: <  &#162;&#200;;   > 00 00 A2 C8 3B 02 00 00 
{3834706} normal block at 0x0000023BC864BE70, 140 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 0x0000023BC85DE340, 8 bytes long.
 Data: <&#176;t0&#202;;   > B0 74 30 CA 3B 02 00 00 
..\zip\boinc_zip.cpp(122) : {317} normal block at 0x0000023BC85DFB70, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{302} normal block at 0x0000023BC85D6F40, 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 0x0000023BC85E6160, 16 bytes long.
 Data: < u^&#200;;           > 98 75 5E C8 3B 02 00 00 00 00 00 00 00 00 00 00 
{300} normal block at 0x0000023BC85E6C00, 16 bytes long.
 Data: <pu^&#200;;           > 70 75 5E C8 3B 02 00 00 00 00 00 00 00 00 00 00 
{299} normal block at 0x0000023BC85E0E60, 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 0x0000023BC85E6A70, 16 bytes long.
 Data: <Hu^&#200;;           > 48 75 5E C8 3B 02 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x0000023BC85E6BB0, 16 bytes long.
 Data: < u^&#200;;           > 20 75 5E C8 3B 02 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x0000023BC85E6A20, 16 bytes long.
 Data: <&#248;t^&#200;;           > F8 74 5E C8 3B 02 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x0000023BC85E69D0, 16 bytes long.
 Data: <&#208;t^&#200;;           > D0 74 5E C8 3B 02 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x0000023BC85E7750, 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 0x0000023BC85E5EE0, 16 bytes long.
 Data: <&#168;&#253;\&#200;;           > A8 FD 5C C8 3B 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x0000023BC85E1CA0, 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 0x0000023BC85E68E0, 16 bytes long.
 Data: < &#253;\&#200;;           > 80 FD 5C C8 3B 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x0000023BC85E6B60, 16 bytes long.
 Data: <X&#253;\&#200;;           > 58 FD 5C C8 3B 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x0000023BC85E6980, 16 bytes long.
 Data: <0&#253;\&#200;;           > 30 FD 5C C8 3B 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x0000023BC85E66B0, 16 bytes long.
 Data: < &#253;\&#200;;           > 08 FD 5C C8 3B 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x0000023BC85E5F30, 16 bytes long.
 Data: <&#224;&#252;\&#200;;           > E0 FC 5C C8 3B 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x0000023BC85E67A0, 16 bytes long.
 Data: <&#184;&#252;\&#200;;           > B8 FC 5C C8 3B 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x0000023BC85E15E0, 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 0x0000023BC85E5E90, 16 bytes long.
 Data: < &#252;\&#200;;           > 90 FC 5C C8 3B 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x0000023BC85CFC90, 320 bytes long.
 Data: < ^^&#200;;   &#224; ^&#200;;   > 90 5E 5E C8 3B 02 00 00 E0 15 5E C8 3B 02 00 00 
{281} normal block at 0x0000023BC85E6930, 16 bytes long.
 Data: <&#176;t^&#200;;           > B0 74 5E C8 3B 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x0000023BC85E5DA0, 16 bytes long.
 Data: < t^&#200;;           > 88 74 5E C8 3B 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x0000023BC85E1040, 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 0x0000023BC85E6C50, 16 bytes long.
 Data: <`t^&#200;;           > 60 74 5E C8 3B 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x0000023BC85E1760, 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 0x0000023BC85E6570, 16 bytes long.
 Data: <&#168;s^&#200;;           > A8 73 5E C8 3B 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x0000023BC85E6B10, 16 bytes long.
 Data: < s^&#200;;           > 80 73 5E C8 3B 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x0000023BC85E5D50, 16 bytes long.
 Data: <Xs^&#200;;           > 58 73 5E C8 3B 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x0000023BC85E5E40, 16 bytes long.
 Data: <0s^&#200;;           > 30 73 5E C8 3B 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x0000023BC85E5D00, 16 bytes long.
 Data: < s^&#200;;           > 08 73 5E C8 3B 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x0000023BC85E6390, 16 bytes long.
 Data: <&#224;r^&#200;;           > E0 72 5E C8 3B 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x0000023BC85E6340, 16 bytes long.
 Data: <&#224; ^&#200;;           > E0 07 5E C8 3B 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x0000023BC85E07E0, 40 bytes long.
 Data: <@c^&#200;;   &#208;z^&#200;;   > 40 63 5E C8 3B 02 00 00 D0 7A 5E C8 3B 02 00 00 
{267} normal block at 0x0000023BC85E5DF0, 16 bytes long.
 Data: <&#192;r^&#200;;           > C0 72 5E C8 3B 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x0000023BC85E6890, 16 bytes long.
 Data: < r^&#200;;           > 98 72 5E C8 3B 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x0000023BC85E1C40, 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 0x0000023BC85E62A0, 16 bytes long.
 Data: <pr^&#200;;           > 70 72 5E C8 3B 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x0000023BC85E7270, 992 bytes long.
 Data: <&#160;b^&#200;;   @ ^&#200;;   > A0 62 5E C8 3B 02 00 00 40 1C 5E C8 3B 02 00 00 
{99} normal block at 0x0000023BC85E17C0, 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 0x0000023BC85DEFC0, 16 bytes long.
 Data: <P \&#200;;           > 50 98 5C C8 3B 02 00 00 00 00 00 00 00 00 00 00 
{97} normal block at 0x0000023BC85C9850, 40 bytes long.
 Data: <&#192;&#239;]&#200;;   &#192; ^&#200;;   > C0 EF 5D C8 3B 02 00 00 C0 17 5E C8 3B 02 00 00 
{76} normal block at 0x0000023BC85DEA70, 16 bytes long.
 Data: < &#234;b&#185;&#246;           > 80 EA 62 B9 F6 7F 00 00 00 00 00 00 00 00 00 00 
{75} normal block at 0x0000023BC85DE7A0, 16 bytes long.
 Data: <@&#233;b&#185;&#246;           > 40 E9 62 B9 F6 7F 00 00 00 00 00 00 00 00 00 00 
{74} normal block at 0x0000023BC85DEE80, 16 bytes long.
 Data: <&#248;W_&#185;&#246;           > F8 57 5F B9 F6 7F 00 00 00 00 00 00 00 00 00 00 
{73} normal block at 0x0000023BC85DE250, 16 bytes long.
 Data: <&#216;W_&#185;&#246;           > D8 57 5F B9 F6 7F 00 00 00 00 00 00 00 00 00 00 
{72} normal block at 0x0000023BC85DE4D0, 16 bytes long.
 Data: <P _&#185;&#246;           > 50 04 5F B9 F6 7F 00 00 00 00 00 00 00 00 00 00 
{71} normal block at 0x0000023BC85DE6B0, 16 bytes long.
 Data: <0 _&#185;&#246;           > 30 04 5F B9 F6 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x0000023BC85DE160, 16 bytes long.
 Data: <&#224; _&#185;&#246;           > E0 02 5F B9 F6 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x0000023BC85DE200, 16 bytes long.
 Data: <  _&#185;&#246;           > 10 04 5F B9 F6 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x0000023BC85DEC50, 16 bytes long.
 Data: <p _&#185;&#246;           > 70 04 5F B9 F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x0000023BC85DE1B0, 16 bytes long.
 Data: < &#192;]&#185;&#246;           > 18 C0 5D B9 F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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