Task 38667360

Name test_110-GPUGRID_TEST_ATM_40STEP_20261023-15-40-RND7511_0
Workunit 31609998
Created 25 Oct 2026, 7:35:35 UTC
Sent 25 Oct 2026, 7:35:57 UTC
Report deadline 30 Oct 2026, 7:35:57 UTC
Received 25 Oct 2026, 11:34:08 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 653623
Run time 2 hours 57 min 21 sec
CPU time 2 hours 51 min 45 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 1,130.95 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 675.92 MB
Peak swap size 6.68 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
09:37:53 (8500): wrapper (7.9.26016): starting
09:37:53 (8500): 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
09:37:55 (8500): Library/usr/bin/tar.exe exited; CPU time 0.000000
09:37:55 (8500): 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\26\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\26\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
12:33:44 (8500): C:/Windows/system32/cmd.exe exited; CPU time 10305.265625
12:33:44 (8500): 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: 173476551 bytes.
Dumping objects ->
{3835223} normal block at 0x00000268F845E060, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835212} normal block at 0x00000268F845DEA0, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835201} normal block at 0x00000268F67B5420, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835190} normal block at 0x00000268F67B53B0, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835179} normal block at 0x00000268F67B52D0, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835148} normal block at 0x00000268F84A6DC0, 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) : {3835135} normal block at 0x00000268F67AB0E0, 8 bytes long.
 Data: <  v&#246;h   > 00 00 76 F6 68 02 00 00 
{3833979} normal block at 0x00000268F67AB1D0, 8 bytes long.
 Data: < -~&#246;h   > 90 2D 7E F6 68 02 00 00 
..\zip\boinc_zip.cpp(122) : {321} normal block at 0x00000268F67B1560, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{306} normal block at 0x00000268F67A72B0, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{305} normal block at 0x00000268F67B6510, 16 bytes long.
 Data: <&#168;r{&#246;h           > A8 72 7B F6 68 02 00 00 00 00 00 00 00 00 00 00 
{304} normal block at 0x00000268F67B6F10, 16 bytes long.
 Data: < r{&#246;h           > 80 72 7B F6 68 02 00 00 00 00 00 00 00 00 00 00 
{303} normal block at 0x00000268F67AF8A0, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{302} normal block at 0x00000268F67B6E20, 16 bytes long.
 Data: <Xr{&#246;h           > 58 72 7B F6 68 02 00 00 00 00 00 00 00 00 00 00 
{301} normal block at 0x00000268F67B6D30, 16 bytes long.
 Data: <0r{&#246;h           > 30 72 7B F6 68 02 00 00 00 00 00 00 00 00 00 00 
{300} normal block at 0x00000268F67B6150, 16 bytes long.
 Data: < r{&#246;h           > 08 72 7B F6 68 02 00 00 00 00 00 00 00 00 00 00 
{299} normal block at 0x00000268F67B6470, 16 bytes long.
 Data: <&#224;q{&#246;h           > E0 71 7B F6 68 02 00 00 00 00 00 00 00 00 00 00 
{298} normal block at 0x00000268F67B56C0, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{297} normal block at 0x00000268F67B60B0, 16 bytes long.
 Data: <h&#250;y&#246;h           > 68 FA 79 F6 68 02 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x00000268F67AEFA0, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{295} normal block at 0x00000268F67B6100, 16 bytes long.
 Data: <@&#250;y&#246;h           > 40 FA 79 F6 68 02 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x00000268F67B6830, 16 bytes long.
 Data: < &#250;y&#246;h           > 18 FA 79 F6 68 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x00000268F67B63D0, 16 bytes long.
 Data: <&#240;&#249;y&#246;h           > F0 F9 79 F6 68 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x00000268F67B6330, 16 bytes long.
 Data: <&#200;&#249;y&#246;h           > C8 F9 79 F6 68 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x00000268F67B6560, 16 bytes long.
 Data: <&#160;&#249;y&#246;h           > A0 F9 79 F6 68 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x00000268F67B66F0, 16 bytes long.
 Data: <x&#249;y&#246;h           > 78 F9 79 F6 68 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x00000268F67AF660, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{287} normal block at 0x00000268F67B6380, 16 bytes long.
 Data: <P&#249;y&#246;h           > 50 F9 79 F6 68 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x00000268F679F950, 320 bytes long.
 Data: < c{&#246;h   `&#246;z&#246;h   > 80 63 7B F6 68 02 00 00 60 F6 7A F6 68 02 00 00 
{285} normal block at 0x00000268F67B64C0, 16 bytes long.
 Data: <&#192;q{&#246;h           > C0 71 7B F6 68 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x00000268F67B62E0, 16 bytes long.
 Data: < q{&#246;h           > 98 71 7B F6 68 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x00000268F67AF600, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{282} normal block at 0x00000268F67B6E70, 16 bytes long.
 Data: <pq{&#246;h           > 70 71 7B F6 68 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x00000268F67AF5A0, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{280} normal block at 0x00000268F67B61F0, 16 bytes long.
 Data: <&#184;p{&#246;h           > B8 70 7B F6 68 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x00000268F67B6C40, 16 bytes long.
 Data: < p{&#246;h           > 90 70 7B F6 68 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x00000268F67B6290, 16 bytes long.
 Data: <hp{&#246;h           > 68 70 7B F6 68 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x00000268F67B6BF0, 16 bytes long.
 Data: <@p{&#246;h           > 40 70 7B F6 68 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x00000268F67B6AB0, 16 bytes long.
 Data: < p{&#246;h           > 18 70 7B F6 68 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x00000268F67B6420, 16 bytes long.
 Data: <&#240;o{&#246;h           > F0 6F 7B F6 68 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x00000268F67B6A10, 16 bytes long.
 Data: < T{&#246;h           > 90 54 7B F6 68 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x00000268F67B5490, 40 bytes long.
 Data: < j{&#246;h   &#192;mJ&#248;h   > 10 6A 7B F6 68 02 00 00 C0 6D 4A F8 68 02 00 00 
{271} normal block at 0x00000268F67B61A0, 16 bytes long.
 Data: <&#208;o{&#246;h           > D0 6F 7B F6 68 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x00000268F67B6BA0, 16 bytes long.
 Data: <&#168;o{&#246;h           > A8 6F 7B F6 68 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x00000268F67AF840, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{268} normal block at 0x00000268F67B6920, 16 bytes long.
 Data: < o{&#246;h           > 80 6F 7B F6 68 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x00000268F67B6F80, 992 bytes long.
 Data: < i{&#246;h   @&#248;z&#246;h   > 20 69 7B F6 68 02 00 00 40 F8 7A F6 68 02 00 00 
{103} normal block at 0x00000268F67AEB20, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{102} normal block at 0x00000268F67AB090, 16 bytes long.
 Data: <&#224;&#218;y&#246;h           > E0 DA 79 F6 68 02 00 00 00 00 00 00 00 00 00 00 
{101} normal block at 0x00000268F679DAE0, 40 bytes long.
 Data: < &#176;z&#246;h    &#235;z&#246;h   > 90 B0 7A F6 68 02 00 00 20 EB 7A F6 68 02 00 00 
{80} normal block at 0x00000268F67AB720, 16 bytes long.
 Data: < &#234;&#173;&#230;&#246;           > 80 EA AD E6 F6 7F 00 00 00 00 00 00 00 00 00 00 
{79} normal block at 0x00000268F67AB590, 16 bytes long.
 Data: <@&#233;&#173;&#230;&#246;           > 40 E9 AD E6 F6 7F 00 00 00 00 00 00 00 00 00 00 
{78} normal block at 0x00000268F67AAF00, 16 bytes long.
 Data: <&#248;W&#170;&#230;&#246;           > F8 57 AA E6 F6 7F 00 00 00 00 00 00 00 00 00 00 
{77} normal block at 0x00000268F67AB950, 16 bytes long.
 Data: <&#216;W&#170;&#230;&#246;           > D8 57 AA E6 F6 7F 00 00 00 00 00 00 00 00 00 00 
{76} normal block at 0x00000268F67AB4F0, 16 bytes long.
 Data: <P &#170;&#230;&#246;           > 50 04 AA E6 F6 7F 00 00 00 00 00 00 00 00 00 00 
{75} normal block at 0x00000268F67AB130, 16 bytes long.
 Data: <0 &#170;&#230;&#246;           > 30 04 AA E6 F6 7F 00 00 00 00 00 00 00 00 00 00 
{74} normal block at 0x00000268F67AAC80, 16 bytes long.
 Data: <&#224; &#170;&#230;&#246;           > E0 02 AA E6 F6 7F 00 00 00 00 00 00 00 00 00 00 
{73} normal block at 0x00000268F67AB680, 16 bytes long.
 Data: <  &#170;&#230;&#246;           > 10 04 AA E6 F6 7F 00 00 00 00 00 00 00 00 00 00 
{72} normal block at 0x00000268F67AB860, 16 bytes long.
 Data: <p &#170;&#230;&#246;           > 70 04 AA E6 F6 7F 00 00 00 00 00 00 00 00 00 00 
{71} normal block at 0x00000268F67AB400, 16 bytes long.
 Data: < &#192;&#168;&#230;&#246;           > 18 C0 A8 E6 F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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