Task 38663558

Name test_517-GPUGRID_TEST_ATM_40STEP_20261023-11-40-RND6426_1
Workunit 31606471
Created 24 Oct 2026, 22:13:59 UTC
Sent 24 Oct 2026, 22:14:28 UTC
Report deadline 29 Oct 2026, 22:14:28 UTC
Received 25 Oct 2026, 1:26:35 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 590980
Run time 2 hours 58 min 23 sec
CPU time 2 hours 46 min 41 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 10,947.62 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 735.16 MB
Peak swap size 6.90 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
00:29:39 (15796): wrapper (7.9.26016): starting
00:29:39 (15796): 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
00:29:41 (15796): Library/usr/bin/tar.exe exited; CPU time 0.000000
00:29:41 (15796): 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\18\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\18\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
02:26:07 (15796): C:/Windows/system32/cmd.exe exited; CPU time 10001.343750
02:26:07 (15796): called boinc_finish(0)
0 bytes in 0 Free Blocks.
538 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: 196076763 bytes.
Dumping objects ->
{3835472} normal block at 0x0000022B6A64BBA0, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835461} normal block at 0x0000022B6A64BC10, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835450} normal block at 0x0000022B6A64C380, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835439} normal block at 0x0000022B6A625DE0, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835428} normal block at 0x0000022B6A625D70, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835397} normal block at 0x0000022B6C3C7810, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835386} normal block at 0x0000022B6A68B830, 141 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) : {3835383} normal block at 0x0000022B6A6216C0, 8 bytes long.
 Data: <  &#183;j+   > 00 00 B7 6A 2B 02 00 00 
{3834665} normal block at 0x0000022B6A68B420, 141 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833969} normal block at 0x0000022B6A620F40, 8 bytes long.
 Data: < &#172;dj+   > 90 AC 64 6A 2B 02 00 00 
..\zip\boinc_zip.cpp(122) : {316} normal block at 0x0000022B6A6178C0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{301} normal block at 0x0000022B6A6189A0, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{300} normal block at 0x0000022B6A627390, 16 bytes long.
 Data: < zbj+           > 98 7A 62 6A 2B 02 00 00 00 00 00 00 00 00 00 00 
{299} normal block at 0x0000022B6A626800, 16 bytes long.
 Data: <pzbj+           > 70 7A 62 6A 2B 02 00 00 00 00 00 00 00 00 00 00 
{298} normal block at 0x0000022B6A621FF0, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{297} normal block at 0x0000022B6A627340, 16 bytes long.
 Data: <Hzbj+           > 48 7A 62 6A 2B 02 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x0000022B6A626940, 16 bytes long.
 Data: < zbj+           > 20 7A 62 6A 2B 02 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x0000022B6A626F80, 16 bytes long.
 Data: <&#248;ybj+           > F8 79 62 6A 2B 02 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x0000022B6A6272A0, 16 bytes long.
 Data: <&#208;ybj+           > D0 79 62 6A 2B 02 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x0000022B6A626320, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{292} normal block at 0x0000022B6A6267B0, 16 bytes long.
 Data: <H&#203;`j+           > 48 CB 60 6A 2B 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x0000022B6A622770, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{290} normal block at 0x0000022B6A627200, 16 bytes long.
 Data: < &#203;`j+           > 20 CB 60 6A 2B 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x0000022B6A627160, 16 bytes long.
 Data: <&#248;&#202;`j+           > F8 CA 60 6A 2B 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x0000022B6A626F30, 16 bytes long.
 Data: <&#208;&#202;`j+           > D0 CA 60 6A 2B 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x0000022B6A627250, 16 bytes long.
 Data: <&#168;&#202;`j+           > A8 CA 60 6A 2B 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x0000022B6A6269E0, 16 bytes long.
 Data: < &#202;`j+           > 80 CA 60 6A 2B 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x0000022B6A626D50, 16 bytes long.
 Data: <X&#202;`j+           > 58 CA 60 6A 2B 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x0000022B6A622710, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{282} normal block at 0x0000022B6A6268F0, 16 bytes long.
 Data: <0&#202;`j+           > 30 CA 60 6A 2B 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x0000022B6A60CA30, 320 bytes long.
 Data: <&#240;hbj+    'bj+   > F0 68 62 6A 2B 02 00 00 10 27 62 6A 2B 02 00 00 
{280} normal block at 0x0000022B6A626EE0, 16 bytes long.
 Data: <&#176;ybj+           > B0 79 62 6A 2B 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x0000022B6A627570, 16 bytes long.
 Data: < ybj+           > 88 79 62 6A 2B 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x0000022B6A6225F0, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{277} normal block at 0x0000022B6A6274D0, 16 bytes long.
 Data: <`ybj+           > 60 79 62 6A 2B 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x0000022B6A6223B0, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{275} normal block at 0x0000022B6A626B20, 16 bytes long.
 Data: <&#168;xbj+           > A8 78 62 6A 2B 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x0000022B6A626CB0, 16 bytes long.
 Data: < xbj+           > 80 78 62 6A 2B 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x0000022B6A626E40, 16 bytes long.
 Data: <Xxbj+           > 58 78 62 6A 2B 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x0000022B6A626A30, 16 bytes long.
 Data: <0xbj+           > 30 78 62 6A 2B 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x0000022B6A626C60, 16 bytes long.
 Data: < xbj+           > 08 78 62 6A 2B 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x0000022B6A6276B0, 16 bytes long.
 Data: <&#224;wbj+           > E0 77 62 6A 2B 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x0000022B6A627480, 16 bytes long.
 Data: <&#160;_bj+           > A0 5F 62 6A 2B 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x0000022B6A625FA0, 40 bytes long.
 Data: < tbj+    x<l+   > 80 74 62 6A 2B 02 00 00 10 78 3C 6C 2B 02 00 00 
{266} normal block at 0x0000022B6A626850, 16 bytes long.
 Data: <&#192;wbj+           > C0 77 62 6A 2B 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x0000022B6A627520, 16 bytes long.
 Data: < wbj+           > 98 77 62 6A 2B 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x0000022B6A621C90, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{263} normal block at 0x0000022B6A6271B0, 16 bytes long.
 Data: <pwbj+           > 70 77 62 6A 2B 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x0000022B6A627770, 992 bytes long.
 Data: <&#176;qbj+     bj+   > B0 71 62 6A 2B 02 00 00 90 1C 62 6A 2B 02 00 00 
{98} normal block at 0x0000022B6A621ED0, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{97} normal block at 0x0000022B6A6213F0, 16 bytes long.
 Data: <&#240;`bj+           > F0 60 62 6A 2B 02 00 00 00 00 00 00 00 00 00 00 
{96} normal block at 0x0000022B6A6260F0, 40 bytes long.
 Data: <&#240; bj+   &#208; bj+   > F0 13 62 6A 2B 02 00 00 D0 1E 62 6A 2B 02 00 00 
{75} normal block at 0x0000022B6A621800, 16 bytes long.
 Data: < &#234;&#154;]&#246;           > 80 EA 9A 5D F6 7F 00 00 00 00 00 00 00 00 00 00 
{74} normal block at 0x0000022B6A620B30, 16 bytes long.
 Data: <@&#233;&#154;]&#246;           > 40 E9 9A 5D F6 7F 00 00 00 00 00 00 00 00 00 00 
{73} normal block at 0x0000022B6A621760, 16 bytes long.
 Data: <&#248;W&#151;]&#246;           > F8 57 97 5D F6 7F 00 00 00 00 00 00 00 00 00 00 
{72} normal block at 0x0000022B6A621490, 16 bytes long.
 Data: <&#216;W&#151;]&#246;           > D8 57 97 5D F6 7F 00 00 00 00 00 00 00 00 00 00 
{71} normal block at 0x0000022B6A621170, 16 bytes long.
 Data: <P &#151;]&#246;           > 50 04 97 5D F6 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x0000022B6A6210D0, 16 bytes long.
 Data: <0 &#151;]&#246;           > 30 04 97 5D F6 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x0000022B6A6218A0, 16 bytes long.
 Data: <&#224; &#151;]&#246;           > E0 02 97 5D F6 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x0000022B6A621260, 16 bytes long.
 Data: <  &#151;]&#246;           > 10 04 97 5D F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x0000022B6A621210, 16 bytes long.
 Data: <p &#151;]&#246;           > 70 04 97 5D F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x0000022B6A620DB0, 16 bytes long.
 Data: < &#192;&#149;]&#246;           > 18 C0 95 5D F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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