Task 38683673

Name test_724-GPUGRID_TEST_ATM_40STEP_20261023-26-40-RND8511_0
Workunit 31625224
Created 27 Oct 2026, 12:47:24 UTC
Sent 27 Oct 2026, 12:47:28 UTC
Report deadline 1 Nov 2026, 12:47:28 UTC
Received 27 Oct 2026, 17:07:44 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 652006
Run time 1 hours 4 min 26 sec
CPU time 1 hours 4 min 9 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 15,302.18 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 729.83 MB
Peak swap size 12.89 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.9</core_client_version>
<![CDATA[
<stderr_txt>
09:03:40 (4836): wrapper (7.9.26016): starting
09:03:40 (4836): 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
09:03:42 (4836): Library/usr/bin/tar.exe exited; CPU time 0.000000
09:03:42 (4836): 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
10:07:08 (4836): C:/Windows/system32/cmd.exe exited; CPU time 3849.015625
10:07:08 (4836): called boinc_finish(0)
0 bytes in 0 Free Blocks.
426 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: 54234028 bytes.
Dumping objects ->
{3835270} normal block at 0x000001CD56911170, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835259} normal block at 0x000001CD569113A0, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835248} normal block at 0x000001CD56911100, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835237} normal block at 0x000001CD56911020, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835226} normal block at 0x000001CD569112C0, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835195} normal block at 0x000001CD56A07430, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835184} normal block at 0x000001CD56A1CC70, 85 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) : {3835181} normal block at 0x000001CD54C389D0, 8 bytes long.
 Data: <  &#191;T&#205;   > 00 00 BF 54 CD 01 00 00 
{3834558} normal block at 0x000001CD56A1C590, 85 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833951} normal block at 0x000001CD54C385C0, 8 bytes long.
 Data: <P&#235;&#209;T&#205;   > 50 EB D1 54 CD 01 00 00 
..\zip\boinc_zip.cpp(122) : {307} normal block at 0x000001CD54C42850, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x000001CD54C2B1A0, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{291} normal block at 0x000001CD54C44470, 16 bytes long.
 Data: <&#200;\&#196;T&#205;           > C8 5C C4 54 CD 01 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x000001CD54C44150, 16 bytes long.
 Data: <&#160;\&#196;T&#205;           > A0 5C C4 54 CD 01 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x000001CD54C3EA40, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{288} normal block at 0x000001CD54C43ED0, 16 bytes long.
 Data: <x\&#196;T&#205;           > 78 5C C4 54 CD 01 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x000001CD54C445B0, 16 bytes long.
 Data: <P\&#196;T&#205;           > 50 5C C4 54 CD 01 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x000001CD54C44380, 16 bytes long.
 Data: <(\&#196;T&#205;           > 28 5C C4 54 CD 01 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x000001CD54C43B60, 16 bytes long.
 Data: < \&#196;T&#205;           > 00 5C C4 54 CD 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000001CD54C3D8B0, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{283} normal block at 0x000001CD54C440B0, 16 bytes long.
 Data: < &#228;&#194;T&#205;           > 88 E4 C2 54 CD 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000001CD54C3ECE0, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{281} normal block at 0x000001CD54C443D0, 16 bytes long.
 Data: <`&#228;&#194;T&#205;           > 60 E4 C2 54 CD 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000001CD54C43A20, 16 bytes long.
 Data: <8&#228;&#194;T&#205;           > 38 E4 C2 54 CD 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x000001CD54C43F70, 16 bytes long.
 Data: < &#228;&#194;T&#205;           > 10 E4 C2 54 CD 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000001CD54C44560, 16 bytes long.
 Data: <&#232;&#227;&#194;T&#205;           > E8 E3 C2 54 CD 01 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x000001CD54C43BB0, 16 bytes long.
 Data: <&#192;&#227;&#194;T&#205;           > C0 E3 C2 54 CD 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000001CD54C44740, 16 bytes long.
 Data: < &#227;&#194;T&#205;           > 98 E3 C2 54 CD 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x000001CD54C3F760, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{273} normal block at 0x000001CD54C446F0, 16 bytes long.
 Data: <p&#227;&#194;T&#205;           > 70 E3 C2 54 CD 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000001CD54C2E370, 320 bytes long.
 Data: <&#240;F&#196;T&#205;   `&#247;&#195;T&#205;   > F0 46 C4 54 CD 01 00 00 60 F7 C3 54 CD 01 00 00 
{271} normal block at 0x000001CD54C44240, 16 bytes long.
 Data: <&#224;[&#196;T&#205;           > E0 5B C4 54 CD 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x000001CD54C43E80, 16 bytes long.
 Data: <&#184;[&#196;T&#205;           > B8 5B C4 54 CD 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000001CD54C3F6A0, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{268} normal block at 0x000001CD54C448D0, 16 bytes long.
 Data: < [&#196;T&#205;           > 90 5B C4 54 CD 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000001CD54C3F400, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{266} normal block at 0x000001CD54C44510, 16 bytes long.
 Data: <&#216;Z&#196;T&#205;           > D8 5A C4 54 CD 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x000001CD54C44830, 16 bytes long.
 Data: <&#176;Z&#196;T&#205;           > B0 5A C4 54 CD 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000001CD54C43C50, 16 bytes long.
 Data: < Z&#196;T&#205;           > 88 5A C4 54 CD 01 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x000001CD54C447E0, 16 bytes long.
 Data: <`Z&#196;T&#205;           > 60 5A C4 54 CD 01 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x000001CD54C43B10, 16 bytes long.
 Data: <8Z&#196;T&#205;           > 38 5A C4 54 CD 01 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x000001CD54C439D0, 16 bytes long.
 Data: < Z&#196;T&#205;           > 10 5A C4 54 CD 01 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x000001CD54C441F0, 16 bytes long.
 Data: <&#208;&#215;&#195;T&#205;           > D0 D7 C3 54 CD 01 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x000001CD54C3D7D0, 40 bytes long.
 Data: <&#240;A&#196;T&#205;   0t&#160;V&#205;   > F0 41 C4 54 CD 01 00 00 30 74 A0 56 CD 01 00 00 
{257} normal block at 0x000001CD54C444C0, 16 bytes long.
 Data: <&#240;Y&#196;T&#205;           > F0 59 C4 54 CD 01 00 00 00 00 00 00 00 00 00 00 
{256} normal block at 0x000001CD54C43E30, 16 bytes long.
 Data: <&#200;Y&#196;T&#205;           > C8 59 C4 54 CD 01 00 00 00 00 00 00 00 00 00 00 
{255} normal block at 0x000001CD54C3EDA0, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{254} normal block at 0x000001CD54C43DE0, 16 bytes long.
 Data: <&#160;Y&#196;T&#205;           > A0 59 C4 54 CD 01 00 00 00 00 00 00 00 00 00 00 
{253} normal block at 0x000001CD54C459A0, 992 bytes long.
 Data: <&#224;=&#196;T&#205;   &#160;&#237;&#195;T&#205;   > E0 3D C4 54 CD 01 00 00 A0 ED C3 54 CD 01 00 00 
{89} normal block at 0x000001CD54C3EAA0, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{88} normal block at 0x000001CD54C39470, 16 bytes long.
 Data: <@&#216;&#195;T&#205;           > 40 D8 C3 54 CD 01 00 00 00 00 00 00 00 00 00 00 
{87} normal block at 0x000001CD54C3D840, 40 bytes long.
 Data: <p&#148;&#195;T&#205;   &#160;&#234;&#195;T&#205;   > 70 94 C3 54 CD 01 00 00 A0 EA C3 54 CD 01 00 00 
{66} normal block at 0x000001CD54C38DE0, 16 bytes long.
 Data: < &#234;L7&#246;           > 80 EA 4C 37 F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000001CD54C387F0, 16 bytes long.
 Data: <@&#233;L7&#246;           > 40 E9 4C 37 F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x000001CD54C38980, 16 bytes long.
 Data: <&#248;WI7&#246;           > F8 57 49 37 F6 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x000001CD54C38930, 16 bytes long.
 Data: <&#216;WI7&#246;           > D8 57 49 37 F6 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x000001CD54C38A20, 16 bytes long.
 Data: <P I7&#246;           > 50 04 49 37 F6 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x000001CD54C38570, 16 bytes long.
 Data: <0 I7&#246;           > 30 04 49 37 F6 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x000001CD54C38C00, 16 bytes long.
 Data: <&#224; I7&#246;           > E0 02 49 37 F6 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x000001CD54C38ED0, 16 bytes long.
 Data: <  I7&#246;           > 10 04 49 37 F6 7F 00 00 00 00 00 00 00 00 00 00 
{58} normal block at 0x000001CD54C393D0, 16 bytes long.
 Data: <p I7&#246;           > 70 04 49 37 F6 7F 00 00 00 00 00 00 00 00 00 00 
{57} normal block at 0x000001CD54C38D90, 16 bytes long.
 Data: < &#192;G7&#246;           > 18 C0 47 37 F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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