Task 38665063

Name test_166-GPUGRID_TEST_ATM_40STEP_20261023-9-40-RND4596_0
Workunit 31608183
Created 25 Oct 2026, 0:35:42 UTC
Sent 25 Oct 2026, 0:52:14 UTC
Report deadline 30 Oct 2026, 0:52:14 UTC
Received 25 Oct 2026, 1:55:02 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 624957
Run time 1 hours 2 min 13 sec
CPU time 59 min 44 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 6,878.75 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 674.61 MB
Peak swap size 6.84 GB
Peak disk usage 3.58 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
19:54:03 (18416): wrapper (7.9.26016): starting
19:54:03 (18416): 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
19:54:04 (18416): Library/usr/bin/tar.exe exited; CPU time 0.000000
19:54:04 (18416): 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\17\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\17\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
20:54:43 (18416): C:/Windows/system32/cmd.exe exited; CPU time 3584.515625
20:54:43 (18416): 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: 68207475 bytes.
Dumping objects ->
{3835204} normal block at 0x000001E11532D960, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835193} normal block at 0x000001E1136B4B30, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835182} normal block at 0x000001E1136B4890, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835171} normal block at 0x000001E1136B4BA0, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835160} normal block at 0x000001E1136B4AC0, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835129} normal block at 0x000001E115377100, 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) : {3835116} normal block at 0x000001E1136AEDC0, 8 bytes long.
 Data: <  h &#225;   > 00 00 68 13 E1 01 00 00 
{3833967} normal block at 0x000001E1136AEA50, 8 bytes long.
 Data: < &#234;( &#225;   > 00 EA 28 15 E1 01 00 00 
..\zip\boinc_zip.cpp(122) : {315} normal block at 0x000001E1136B1010, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{300} normal block at 0x000001E1136A65C0, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{299} normal block at 0x000001E1136B6220, 16 bytes long.
 Data: <&#168;fk &#225;           > A8 66 6B 13 E1 01 00 00 00 00 00 00 00 00 00 00 
{298} normal block at 0x000001E1136B5640, 16 bytes long.
 Data: < fk &#225;           > 80 66 6B 13 E1 01 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x000001E1136AFDC0, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{296} normal block at 0x000001E1136B55F0, 16 bytes long.
 Data: <Xfk &#225;           > 58 66 6B 13 E1 01 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x000001E1136B5CD0, 16 bytes long.
 Data: <0fk &#225;           > 30 66 6B 13 E1 01 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x000001E1136B5C80, 16 bytes long.
 Data: < fk &#225;           > 08 66 6B 13 E1 01 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x000001E1136B5B90, 16 bytes long.
 Data: <&#224;ek &#225;           > E0 65 6B 13 E1 01 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x000001E1136B4EB0, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{291} normal block at 0x000001E1136B5B40, 16 bytes long.
 Data: <X j &#225;           > 58 90 6A 13 E1 01 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x000001E1136AF8E0, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{289} normal block at 0x000001E1136B5BE0, 16 bytes long.
 Data: <0 j &#225;           > 30 90 6A 13 E1 01 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x000001E1136B5870, 16 bytes long.
 Data: <  j &#225;           > 08 90 6A 13 E1 01 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x000001E1136B5820, 16 bytes long.
 Data: <&#224; j &#225;           > E0 8F 6A 13 E1 01 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x000001E1136B54B0, 16 bytes long.
 Data: <&#184; j &#225;           > B8 8F 6A 13 E1 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000001E1136B5AA0, 16 bytes long.
 Data: <  j &#225;           > 90 8F 6A 13 E1 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000001E1136B6130, 16 bytes long.
 Data: <h j &#225;           > 68 8F 6A 13 E1 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000001E1136B0420, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{281} normal block at 0x000001E1136B6270, 16 bytes long.
 Data: <@ j &#225;           > 40 8F 6A 13 E1 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000001E1136A8F40, 320 bytes long.
 Data: <pbk &#225;     k &#225;   > 70 62 6B 13 E1 01 00 00 20 04 6B 13 E1 01 00 00 
{279} normal block at 0x000001E1136B5960, 16 bytes long.
 Data: <&#192;ek &#225;           > C0 65 6B 13 E1 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x000001E1136B53C0, 16 bytes long.
 Data: < ek &#225;           > 98 65 6B 13 E1 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000001E1136B0540, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{276} normal block at 0x000001E1136B5D20, 16 bytes long.
 Data: <pek &#225;           > 70 65 6B 13 E1 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000001E1136AFCA0, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{274} normal block at 0x000001E1136B5FF0, 16 bytes long.
 Data: <&#184;dk &#225;           > B8 64 6B 13 E1 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x000001E1136B5C30, 16 bytes long.
 Data: < dk &#225;           > 90 64 6B 13 E1 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000001E1136B5E60, 16 bytes long.
 Data: <hdk &#225;           > 68 64 6B 13 E1 01 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x000001E1136B5F50, 16 bytes long.
 Data: <@dk &#225;           > 40 64 6B 13 E1 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x000001E1136B61D0, 16 bytes long.
 Data: < dk &#225;           > 18 64 6B 13 E1 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000001E1136B60E0, 16 bytes long.
 Data: <&#240;ck &#225;           > F0 63 6B 13 E1 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000001E1136B5A50, 16 bytes long.
 Data: < Lk &#225;           > 10 4C 6B 13 E1 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000001E1136B4C10, 40 bytes long.
 Data: <PZk &#225;    q7 &#225;   > 50 5A 6B 13 E1 01 00 00 00 71 37 15 E1 01 00 00 
{265} normal block at 0x000001E1136B5A00, 16 bytes long.
 Data: <&#208;ck &#225;           > D0 63 6B 13 E1 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000001E1136B5AF0, 16 bytes long.
 Data: <&#168;ck &#225;           > A8 63 6B 13 E1 01 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x000001E1136AFAC0, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{262} normal block at 0x000001E1136B57D0, 16 bytes long.
 Data: < ck &#225;           > 80 63 6B 13 E1 01 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x000001E1136B6380, 992 bytes long.
 Data: <&#208;Wk &#225;   &#192;&#250;j &#225;   > D0 57 6B 13 E1 01 00 00 C0 FA 6A 13 E1 01 00 00 
{97} normal block at 0x000001E1136AF9A0, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{96} normal block at 0x000001E1136AF180, 16 bytes long.
 Data: <&#224;&#228;i &#225;           > E0 E4 69 13 E1 01 00 00 00 00 00 00 00 00 00 00 
{95} normal block at 0x000001E11369E4E0, 40 bytes long.
 Data: < &#241;j &#225;   &#160;&#249;j &#225;   > 80 F1 6A 13 E1 01 00 00 A0 F9 6A 13 E1 01 00 00 
{74} normal block at 0x000001E1136AF2C0, 16 bytes long.
 Data: < &#234;&#213; &#246;           > 80 EA D5 0D F6 7F 00 00 00 00 00 00 00 00 00 00 
{73} normal block at 0x000001E1136AF720, 16 bytes long.
 Data: <@&#233;&#213; &#246;           > 40 E9 D5 0D F6 7F 00 00 00 00 00 00 00 00 00 00 
{72} normal block at 0x000001E1136AF6D0, 16 bytes long.
 Data: <&#248;W&#210; &#246;           > F8 57 D2 0D F6 7F 00 00 00 00 00 00 00 00 00 00 
{71} normal block at 0x000001E1136AEA00, 16 bytes long.
 Data: <&#216;W&#210; &#246;           > D8 57 D2 0D F6 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x000001E1136AEB40, 16 bytes long.
 Data: <P &#210; &#246;           > 50 04 D2 0D F6 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x000001E1136AF5E0, 16 bytes long.
 Data: <0 &#210; &#246;           > 30 04 D2 0D F6 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x000001E1136AEFF0, 16 bytes long.
 Data: <&#224; &#210; &#246;           > E0 02 D2 0D F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x000001E1136AF270, 16 bytes long.
 Data: <  &#210; &#246;           > 10 04 D2 0D F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000001E1136AF220, 16 bytes long.
 Data: <p &#210; &#246;           > 70 04 D2 0D F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000001E1136AF540, 16 bytes long.
 Data: < &#192;&#208; &#246;           > 18 C0 D0 0D F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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