Task 38686969

Name test_426-GPUGRID_TEST_ATM_40STEP_20261023-17-40-RND5205_0
Workunit 31628375
Created 28 Oct 2026, 5:18:28 UTC
Sent 28 Oct 2026, 5:18:34 UTC
Report deadline 2 Nov 2026, 5:18:34 UTC
Received 28 Oct 2026, 6:12:41 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 652372
Run time 53 min 9 sec
CPU time 50 min 3 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 4,888.09 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 883.48 MB
Peak swap size 6.73 GB
Peak disk usage 3.91 GB

Stderr output

<core_client_version>8.2.8</core_client_version>
<![CDATA[
<stderr_txt>
06:20:19 (3616): wrapper (7.9.26016): starting
06:20:19 (3616): 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
06:20:21 (3616): Library/usr/bin/tar.exe exited; CPU time 0.000000
06:20:21 (3616): 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:\ProgramData\BOINC\slots\8\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:\ProgramData\BOINC\slots\8\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
07:12:19 (3616): C:/Windows/system32/cmd.exe exited; CPU time 3003.843750
07:12:19 (3616): called boinc_finish(0)
0 bytes in 0 Free Blocks.
460 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: 46409457 bytes.
Dumping objects ->
{3835551} normal block at 0x000001EE1E12DB60, 48 bytes long.
 Data: <PATH=D:\ProgramD> 50 41 54 48 3D 44 3A 5C 50 72 6F 67 72 61 6D 44 
{3835540} normal block at 0x000001EE1C555D20, 48 bytes long.
 Data: <HOME=D:\ProgramD> 48 4F 4D 45 3D 44 3A 5C 50 72 6F 67 72 61 6D 44 
{3835529} normal block at 0x000001EE1C5562D0, 48 bytes long.
 Data: <TMP=D:\ProgramDa> 54 4D 50 3D 44 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835518} normal block at 0x000001EE1C556260, 48 bytes long.
 Data: <TEMP=D:\ProgramD> 54 45 4D 50 3D 44 3A 5C 50 72 6F 67 72 61 6D 44 
{3835507} normal block at 0x000001EE1C555E70, 48 bytes long.
 Data: <TMPDIR=D:\Progra> 54 4D 50 44 49 52 3D 44 3A 5C 50 72 6F 67 72 61 
{3835476} normal block at 0x000001EE1E17A9A0, 64 bytes long.
 Data: <PATH=D:\ProgramD> 50 41 54 48 3D 44 3A 5C 50 72 6F 67 72 61 6D 44 
{3835465} normal block at 0x000001EE1E18FB60, 102 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) : {3835462} normal block at 0x000001EE1C54ED80, 8 bytes long.
 Data: <  &#145; &#238;   > 00 00 91 1C EE 01 00 00 
{3834687} normal block at 0x000001EE1E18FCC0, 102 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833965} normal block at 0x000001EE1C54F0A0, 8 bytes long.
 Data: <&#240;J  &#238;   > F0 4A 1D 1E EE 01 00 00 
..\zip\boinc_zip.cpp(122) : {314} normal block at 0x000001EE1C550C60, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{299} normal block at 0x000001EE1C546900, 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 0x000001EE1C556AE0, 16 bytes long.
 Data: <xxU &#238;           > 78 78 55 1C EE 01 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x000001EE1C556720, 16 bytes long.
 Data: <PxU &#238;           > 50 78 55 1C EE 01 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x000001EE1C5501F0, 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 0x000001EE1C556F40, 16 bytes long.
 Data: <(xU &#238;           > 28 78 55 1C EE 01 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x000001EE1C5566D0, 16 bytes long.
 Data: < xU &#238;           > 00 78 55 1C EE 01 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x000001EE1C557260, 16 bytes long.
 Data: <&#216;wU &#238;           > D8 77 55 1C EE 01 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x000001EE1C5571C0, 16 bytes long.
 Data: <&#176;wU &#238;           > B0 77 55 1C EE 01 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x000001EE1C555BD0, 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 0x000001EE1C556630, 16 bytes long.
 Data: < &#181;S &#238;           > 88 B5 53 1C EE 01 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x000001EE1C54FA70, 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 0x000001EE1C556C70, 16 bytes long.
 Data: <`&#181;S &#238;           > 60 B5 53 1C EE 01 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x000001EE1C556EF0, 16 bytes long.
 Data: <8&#181;S &#238;           > 38 B5 53 1C EE 01 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x000001EE1C556C20, 16 bytes long.
 Data: < &#181;S &#238;           > 10 B5 53 1C EE 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000001EE1C556590, 16 bytes long.
 Data: <&#232;&#180;S &#238;           > E8 B4 53 1C EE 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000001EE1C556A40, 16 bytes long.
 Data: <&#192;&#180;S &#238;           > C0 B4 53 1C EE 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000001EE1C557170, 16 bytes long.
 Data: < &#180;S &#238;           > 98 B4 53 1C EE 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000001EE1C550790, 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 0x000001EE1C557350, 16 bytes long.
 Data: <p&#180;S &#238;           > 70 B4 53 1C EE 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000001EE1C53B470, 320 bytes long.
 Data: <PsU &#238;     U &#238;   > 50 73 55 1C EE 01 00 00 90 07 55 1C EE 01 00 00 
{278} normal block at 0x000001EE1C556900, 16 bytes long.
 Data: < wU &#238;           > 90 77 55 1C EE 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000001EE1C5574E0, 16 bytes long.
 Data: <hwU &#238;           > 68 77 55 1C EE 01 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x000001EE1C54FE90, 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 0x000001EE1C5567C0, 16 bytes long.
 Data: <@wU &#238;           > 40 77 55 1C EE 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x000001EE1C54FE30, 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 0x000001EE1C5569A0, 16 bytes long.
 Data: < vU &#238;           > 88 76 55 1C EE 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000001EE1C557490, 16 bytes long.
 Data: <`vU &#238;           > 60 76 55 1C EE 01 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x000001EE1C557440, 16 bytes long.
 Data: <8vU &#238;           > 38 76 55 1C EE 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x000001EE1C556950, 16 bytes long.
 Data: < vU &#238;           > 10 76 55 1C EE 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000001EE1C5569F0, 16 bytes long.
 Data: <&#232;uU &#238;           > E8 75 55 1C EE 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000001EE1C556FE0, 16 bytes long.
 Data: <&#192;uU &#238;           > C0 75 55 1C EE 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000001EE1C557030, 16 bytes long.
 Data: < aU &#238;           > 80 61 55 1C EE 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x000001EE1C556180, 40 bytes long.
 Data: <0pU &#238;   &#160;&#169;  &#238;   > 30 70 55 1C EE 01 00 00 A0 A9 17 1E EE 01 00 00 
{264} normal block at 0x000001EE1C556860, 16 bytes long.
 Data: <&#160;uU &#238;           > A0 75 55 1C EE 01 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x000001EE1C557080, 16 bytes long.
 Data: <xuU &#238;           > 78 75 55 1C EE 01 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x000001EE1C54FDD0, 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 0x000001EE1C556CC0, 16 bytes long.
 Data: <PuU &#238;           > 50 75 55 1C EE 01 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x000001EE1C557550, 992 bytes long.
 Data: <&#192;lU &#238;   &#208;&#253;T &#238;   > C0 6C 55 1C EE 01 00 00 D0 FD 54 1C EE 01 00 00 
{96} normal block at 0x000001EE1C550190, 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 0x000001EE1C54E920, 16 bytes long.
 Data: <0&#211;S &#238;           > 30 D3 53 1C EE 01 00 00 00 00 00 00 00 00 00 00 
{94} normal block at 0x000001EE1C53D330, 40 bytes long.
 Data: < &#233;T &#238;     U &#238;   > 20 E9 54 1C EE 01 00 00 90 01 55 1C EE 01 00 00 
{73} normal block at 0x000001EE1C54EC90, 16 bytes long.
 Data: < &#234;s&#154;&#247;           > 80 EA 73 9A F7 7F 00 00 00 00 00 00 00 00 00 00 
{72} normal block at 0x000001EE1C54EAB0, 16 bytes long.
 Data: <@&#233;s&#154;&#247;           > 40 E9 73 9A F7 7F 00 00 00 00 00 00 00 00 00 00 
{71} normal block at 0x000001EE1C54F280, 16 bytes long.
 Data: <&#248;Wp&#154;&#247;           > F8 57 70 9A F7 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x000001EE1C54F230, 16 bytes long.
 Data: <&#216;Wp&#154;&#247;           > D8 57 70 9A F7 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x000001EE1C54EA10, 16 bytes long.
 Data: <P p&#154;&#247;           > 50 04 70 9A F7 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x000001EE1C54F5A0, 16 bytes long.
 Data: <0 p&#154;&#247;           > 30 04 70 9A F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x000001EE1C54F320, 16 bytes long.
 Data: <&#224; p&#154;&#247;           > E0 02 70 9A F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000001EE1C54E880, 16 bytes long.
 Data: <  p&#154;&#247;           > 10 04 70 9A F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000001EE1C54E8D0, 16 bytes long.
 Data: <p p&#154;&#247;           > 70 04 70 9A F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x000001EE1C54EA60, 16 bytes long.
 Data: < &#192;n&#154;&#247;           > 18 C0 6E 9A F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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