Task 38673701

Name test_439-GPUGRID_TEST_ATM_40STEP_20261023-28-40-RND0034_0
Workunit 31615766
Created 26 Oct 2026, 3:11:07 UTC
Sent 26 Oct 2026, 3:11:24 UTC
Report deadline 31 Oct 2026, 3:11:24 UTC
Received 26 Oct 2026, 3:35:59 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 626877
Run time 22 min 30 sec
CPU time 21 min 20 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 35,915.31 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 701.24 MB
Peak swap size 6.93 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.9</core_client_version>
<![CDATA[
<stderr_txt>
23:12:31 (39732): wrapper (7.9.26016): starting
23:12:31 (39732): 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
23:12:32 (39732): Library/usr/bin/tar.exe exited; CPU time 0.000000
23:12:32 (39732): 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: r*/*.xtc: Cannot stat: No such file or directory
tar: Exiting with failure status due to previous errors
23:35:19 (39732): C:/Windows/system32/cmd.exe exited; CPU time 1280.296875
23:35:19 (39732): 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: 27376689 bytes.
Dumping objects ->
{3835213} normal block at 0x000002240FA25760, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835202} normal block at 0x000002240FA25060, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835191} normal block at 0x000002240FA258B0, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835180} normal block at 0x000002240FA25BC0, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835169} normal block at 0x000002240FA25B50, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835138} normal block at 0x000002240F94D300, 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) : {3835125} normal block at 0x000002240DC8D550, 8 bytes long.
 Data: <    $   > 00 00 10 0E 24 02 00 00 
{3833963} normal block at 0x000002240DC8D460, 8 bytes long.
 Data: < &#228;&#131; $   > 80 E4 83 0F 24 02 00 00 
..\zip\boinc_zip.cpp(122) : {313} normal block at 0x000002240DC90B70, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{298} normal block at 0x000002240DC86750, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{297} normal block at 0x000002240DC95DA0, 16 bytes long.
 Data: <Xi&#201; $           > 58 69 C9 0D 24 02 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x000002240DC965C0, 16 bytes long.
 Data: <0i&#201; $           > 30 69 C9 0D 24 02 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x000002240DC8F340, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{294} normal block at 0x000002240DC95E90, 16 bytes long.
 Data: < i&#201; $           > 08 69 C9 0D 24 02 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x000002240DC95D50, 16 bytes long.
 Data: <&#224;h&#201; $           > E0 68 C9 0D 24 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x000002240DC95B70, 16 bytes long.
 Data: <&#184;h&#201; $           > B8 68 C9 0D 24 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x000002240DC95CB0, 16 bytes long.
 Data: < h&#201; $           > 90 68 C9 0D 24 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x000002240DC93A20, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{289} normal block at 0x000002240DC958F0, 16 bytes long.
 Data: < &#182;&#199; $           > 18 B6 C7 0D 24 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x000002240DC8EC20, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{287} normal block at 0x000002240DC95C10, 16 bytes long.
 Data: <&#240;&#181;&#199; $           > F0 B5 C7 0D 24 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x000002240DC96160, 16 bytes long.
 Data: <&#200;&#181;&#199; $           > C8 B5 C7 0D 24 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000002240DC958A0, 16 bytes long.
 Data: <&#160;&#181;&#199; $           > A0 B5 C7 0D 24 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000002240DC96250, 16 bytes long.
 Data: <x&#181;&#199; $           > 78 B5 C7 0D 24 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000002240DC95FD0, 16 bytes long.
 Data: <P&#181;&#199; $           > 50 B5 C7 0D 24 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000002240DC95BC0, 16 bytes long.
 Data: <(&#181;&#199; $           > 28 B5 C7 0D 24 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000002240DC8F400, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{279} normal block at 0x000002240DC96200, 16 bytes long.
 Data: < &#181;&#199; $           > 00 B5 C7 0D 24 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x000002240DC7B500, 320 bytes long.
 Data: < b&#201; $    &#244;&#200; $   > 00 62 C9 0D 24 02 00 00 00 F4 C8 0D 24 02 00 00 
{277} normal block at 0x000002240DC95B20, 16 bytes long.
 Data: <ph&#201; $           > 70 68 C9 0D 24 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x000002240DC959E0, 16 bytes long.
 Data: <Hh&#201; $           > 48 68 C9 0D 24 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000002240DC8F580, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{274} normal block at 0x000002240DC95D00, 16 bytes long.
 Data: < h&#201; $           > 20 68 C9 0D 24 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x000002240DC8F6A0, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{272} normal block at 0x000002240DC95990, 16 bytes long.
 Data: <hg&#201; $           > 68 67 C9 0D 24 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x000002240DC960C0, 16 bytes long.
 Data: <@g&#201; $           > 40 67 C9 0D 24 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x000002240DC95A80, 16 bytes long.
 Data: < g&#201; $           > 18 67 C9 0D 24 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000002240DC95C60, 16 bytes long.
 Data: <&#240;f&#201; $           > F0 66 C9 0D 24 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000002240DC95940, 16 bytes long.
 Data: <&#200;f&#201; $           > C8 66 C9 0D 24 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000002240DC96110, 16 bytes long.
 Data: <&#160;f&#201; $           > A0 66 C9 0D 24 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x000002240DC96390, 16 bytes long.
 Data: <`?&#201; $           > 60 3F C9 0D 24 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000002240DC93F60, 40 bytes long.
 Data: < c&#201; $    &#211;&#148; $   > 90 63 C9 0D 24 02 00 00 00 D3 94 0F 24 02 00 00 
{263} normal block at 0x000002240DC95F80, 16 bytes long.
 Data: < f&#201; $           > 80 66 C9 0D 24 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x000002240DC96570, 16 bytes long.
 Data: <Xf&#201; $           > 58 66 C9 0D 24 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x000002240DC8E9E0, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{260} normal block at 0x000002240DC95E40, 16 bytes long.
 Data: <0f&#201; $           > 30 66 C9 0D 24 02 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x000002240DC96630, 992 bytes long.
 Data: <@^&#201; $   &#224;&#233;&#200; $   > 40 5E C9 0D 24 02 00 00 E0 E9 C8 0D 24 02 00 00 
{95} normal block at 0x000002240DC8F040, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{94} normal block at 0x000002240DC8D690, 16 bytes long.
 Data: <&#240;>&#201; $           > F0 3E C9 0D 24 02 00 00 00 00 00 00 00 00 00 00 
{93} normal block at 0x000002240DC93EF0, 40 bytes long.
 Data: < &#214;&#200; $   @&#240;&#200; $   > 90 D6 C8 0D 24 02 00 00 40 F0 C8 0D 24 02 00 00 
{72} normal block at 0x000002240DC8D280, 16 bytes long.
 Data: < &#234; o&#247;           > 80 EA 11 6F F7 7F 00 00 00 00 00 00 00 00 00 00 
{71} normal block at 0x000002240DC8DE10, 16 bytes long.
 Data: <@&#233; o&#247;           > 40 E9 11 6F F7 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x000002240DC8E0E0, 16 bytes long.
 Data: <&#248;W o&#247;           > F8 57 0E 6F F7 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x000002240DC8DA00, 16 bytes long.
 Data: <&#216;W o&#247;           > D8 57 0E 6F F7 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x000002240DC8D190, 16 bytes long.
 Data: <P  o&#247;           > 50 04 0E 6F F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x000002240DC8DAF0, 16 bytes long.
 Data: <0  o&#247;           > 30 04 0E 6F F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000002240DC8DAA0, 16 bytes long.
 Data: <&#224;  o&#247;           > E0 02 0E 6F F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000002240DC8D910, 16 bytes long.
 Data: <   o&#247;           > 10 04 0E 6F F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x000002240DC8D6E0, 16 bytes long.
 Data: <p  o&#247;           > 70 04 0E 6F F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x000002240DC8D1E0, 16 bytes long.
 Data: < &#192; o&#247;           > 18 C0 0C 6F F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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