Task 38653733

Name test_265-GPUGRID_TEST_ATM_40STEP_20261023-3-40-RND8375_0
Workunit 31597636
Created 24 Oct 2026, 6:06:23 UTC
Sent 24 Oct 2026, 6:11:48 UTC
Report deadline 29 Oct 2026, 6:11:48 UTC
Received 24 Oct 2026, 7:55:30 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 642350
Run time 32 min 5 sec
CPU time 29 min 50 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 16,408.10 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 728.05 MB
Peak swap size 9.88 GB
Peak disk usage 4.09 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
02:24:28 (360500): wrapper (7.9.26016): starting
02:24:28 (360500): 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
02:24:29 (360500): Library/usr/bin/tar.exe exited; CPU time 0.062500
02:24:29 (360500): 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\0\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\0\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
02:55:03 (360500): C:/Windows/system32/cmd.exe exited; CPU time 1790.921875
02:55:03 (360500): 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: 40397869 bytes.
Dumping objects ->
{3835248} normal block at 0x000001C6369540D0, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835237} normal block at 0x000001C6369536C0, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835226} normal block at 0x000001C636953C00, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835215} normal block at 0x000001C636953E30, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835204} normal block at 0x000001C636953FF0, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835173} normal block at 0x000001C63867DC90, 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) : {3835160} normal block at 0x000001C63692BFF0, 8 bytes long.
 Data: <  &#140;6&#198;   > 00 00 8C 36 C6 01 00 00 
{3833959} normal block at 0x000001C63692BE60, 8 bytes long.
 Data: <&#224; &#149;6&#198;   > E0 1C 95 36 C6 01 00 00 
..\zip\boinc_zip.cpp(122) : {311} normal block at 0x000001C63690B260, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x000001C63690CDE0, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{295} normal block at 0x000001C63692B9B0, 16 bytes long.
 Data: < &#203;&#146;6&#198;           > 98 CB 92 36 C6 01 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x000001C63692B460, 16 bytes long.
 Data: <p&#203;&#146;6&#198;           > 70 CB 92 36 C6 01 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x000001C63692C7D0, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{292} normal block at 0x000001C63692B320, 16 bytes long.
 Data: <H&#203;&#146;6&#198;           > 48 CB 92 36 C6 01 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x000001C63692B2D0, 16 bytes long.
 Data: < &#203;&#146;6&#198;           > 20 CB 92 36 C6 01 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x000001C63692B280, 16 bytes long.
 Data: <&#248;&#202;&#146;6&#198;           > F8 CA 92 36 C6 01 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x000001C63692B230, 16 bytes long.
 Data: <&#208;&#202;&#146;6&#198;           > D0 CA 92 36 C6 01 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x000001C636924670, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{287} normal block at 0x000001C63692B1E0, 16 bytes long.
 Data: < ?&#146;6&#198;           > 18 3F 92 36 C6 01 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x000001C63692C5F0, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{285} normal block at 0x000001C63692B190, 16 bytes long.
 Data: <&#240;>&#146;6&#198;           > F0 3E 92 36 C6 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000001C63692B960, 16 bytes long.
 Data: <&#200;>&#146;6&#198;           > C8 3E 92 36 C6 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000001C63692B910, 16 bytes long.
 Data: <&#160;>&#146;6&#198;           > A0 3E 92 36 C6 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000001C63692B0A0, 16 bytes long.
 Data: <x>&#146;6&#198;           > 78 3E 92 36 C6 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000001C63692B8C0, 16 bytes long.
 Data: <P>&#146;6&#198;           > 50 3E 92 36 C6 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000001C63692B0F0, 16 bytes long.
 Data: <(>&#146;6&#198;           > 28 3E 92 36 C6 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x000001C63692C1D0, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{277} normal block at 0x000001C63692B820, 16 bytes long.
 Data: < >&#146;6&#198;           > 00 3E 92 36 C6 01 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x000001C636923E00, 320 bytes long.
 Data: < &#184;&#146;6&#198;   &#208;&#193;&#146;6&#198;   > 20 B8 92 36 C6 01 00 00 D0 C1 92 36 C6 01 00 00 
{275} normal block at 0x000001C63692BD70, 16 bytes long.
 Data: <&#176;&#202;&#146;6&#198;           > B0 CA 92 36 C6 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x000001C63692BD20, 16 bytes long.
 Data: < &#202;&#146;6&#198;           > 88 CA 92 36 C6 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x000001C63692C170, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{272} normal block at 0x000001C63692BC80, 16 bytes long.
 Data: <`&#202;&#146;6&#198;           > 60 CA 92 36 C6 01 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x000001C63692C290, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{270} normal block at 0x000001C63692BC30, 16 bytes long.
 Data: <&#168;&#201;&#146;6&#198;           > A8 C9 92 36 C6 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000001C63692BBE0, 16 bytes long.
 Data: < &#201;&#146;6&#198;           > 80 C9 92 36 C6 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000001C63692BB90, 16 bytes long.
 Data: <X&#201;&#146;6&#198;           > 58 C9 92 36 C6 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000001C63692BB40, 16 bytes long.
 Data: <0&#201;&#146;6&#198;           > 30 C9 92 36 C6 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000001C63692B550, 16 bytes long.
 Data: < &#201;&#146;6&#198;           > 08 C9 92 36 C6 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x000001C63692BAF0, 16 bytes long.
 Data: <&#224;&#200;&#146;6&#198;           > E0 C8 92 36 C6 01 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x000001C63692BFA0, 16 bytes long.
 Data: <&#160;H&#146;6&#198;           > A0 48 92 36 C6 01 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x000001C6369248A0, 40 bytes long.
 Data: <&#160;&#191;&#146;6&#198;    &#220;g8&#198;   > A0 BF 92 36 C6 01 00 00 90 DC 67 38 C6 01 00 00 
{261} normal block at 0x000001C63692B870, 16 bytes long.
 Data: <&#192;&#200;&#146;6&#198;           > C0 C8 92 36 C6 01 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x000001C63692B6E0, 16 bytes long.
 Data: < &#200;&#146;6&#198;           > 98 C8 92 36 C6 01 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x000001C63692C530, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{258} normal block at 0x000001C63692BAA0, 16 bytes long.
 Data: <p&#200;&#146;6&#198;           > 70 C8 92 36 C6 01 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x000001C63692C870, 992 bytes long.
 Data: <&#160;&#186;&#146;6&#198;   0&#197;&#146;6&#198;   > A0 BA 92 36 C6 01 00 00 30 C5 92 36 C6 01 00 00 
{93} normal block at 0x000001C63692E180, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{92} normal block at 0x000001C636919A80, 16 bytes long.
 Data: <@K&#146;6&#198;           > 40 4B 92 36 C6 01 00 00 00 00 00 00 00 00 00 00 
{91} normal block at 0x000001C636924B40, 40 bytes long.
 Data: < &#154;&#145;6&#198;    &#225;&#146;6&#198;   > 80 9A 91 36 C6 01 00 00 80 E1 92 36 C6 01 00 00 
{70} normal block at 0x000001C6369198F0, 16 bytes long.
 Data: < &#234;&#255;&#154;&#246;           > 80 EA FF 9A F6 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x000001C6369198A0, 16 bytes long.
 Data: <@&#233;&#255;&#154;&#246;           > 40 E9 FF 9A F6 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x000001C636919850, 16 bytes long.
 Data: <&#248;W&#252;&#154;&#246;           > F8 57 FC 9A F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x000001C6369197B0, 16 bytes long.
 Data: <&#216;W&#252;&#154;&#246;           > D8 57 FC 9A F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000001C636919A30, 16 bytes long.
 Data: <P &#252;&#154;&#246;           > 50 04 FC 9A F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000001C636919760, 16 bytes long.
 Data: <0 &#252;&#154;&#246;           > 30 04 FC 9A F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x000001C636919710, 16 bytes long.
 Data: <&#224; &#252;&#154;&#246;           > E0 02 FC 9A F6 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x000001C6369196C0, 16 bytes long.
 Data: <  &#252;&#154;&#246;           > 10 04 FC 9A F6 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x000001C636919530, 16 bytes long.
 Data: <p &#252;&#154;&#246;           > 70 04 FC 9A F6 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x000001C6369194E0, 16 bytes long.
 Data: < &#192;&#250;&#154;&#246;           > 18 C0 FA 9A F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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