Task 38663751

Name test_85-GPUGRID_TEST_ATM_40STEP_20261023-11-40-RND8694_0
Workunit 31606947
Created 24 Oct 2026, 22:36:26 UTC
Sent 24 Oct 2026, 22:36:31 UTC
Report deadline 29 Oct 2026, 22:36:31 UTC
Received 24 Oct 2026, 23:52:49 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 618954
Run time 51 min 12 sec
CPU time 51 min 12 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 12,741.16 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 714.34 MB
Peak swap size 18.91 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.5</core_client_version>
<![CDATA[
<stderr_txt>
01:06:01 (1388): wrapper (7.9.26016): starting
01:06:01 (1388): 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
01:06:02 (1388): Library/usr/bin/tar.exe exited; CPU time 0.000000
01:06:02 (1388): 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\183\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\183\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
01:52:09 (1388): C:/Windows/system32/cmd.exe exited; CPU time 3072.406250
01:52:09 (1388): called boinc_finish(0)
0 bytes in 0 Free Blocks.
536 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: 75932593 bytes.
Dumping objects ->
{3835226} normal block at 0x000001A325009550, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835215} normal block at 0x000001A3250099B0, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835204} normal block at 0x000001A325009710, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835193} normal block at 0x000001A325009BE0, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835182} normal block at 0x000001A325009E10, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835151} normal block at 0x000001A3250BDE30, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835140} normal block at 0x000001A326E57710, 140 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) : {3835137} normal block at 0x000001A324FE3C30, 8 bytes long.
 Data: <  &#159;&&#163;   > 00 00 9F 26 A3 01 00 00 
{3834534} normal block at 0x000001A326E573D0, 140 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833949} normal block at 0x000001A324FE3D20, 8 bytes long.
 Data: <&#160;&#214;&#251;$&#163;   > A0 D6 FB 24 A3 01 00 00 
..\zip\boinc_zip.cpp(122) : {306} normal block at 0x000001A324FCD5D0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x000001A324FC48B0, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{290} normal block at 0x000001A324FE33C0, 16 bytes long.
 Data: < o&#254;$&#163;           > 98 6F FE 24 A3 01 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x000001A324FE3370, 16 bytes long.
 Data: <po&#254;$&#163;           > 70 6F FE 24 A3 01 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x000001A324FD9230, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{287} normal block at 0x000001A324FE3780, 16 bytes long.
 Data: <Ho&#254;$&#163;           > 48 6F FE 24 A3 01 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x000001A324FE3BE0, 16 bytes long.
 Data: < o&#254;$&#163;           > 20 6F FE 24 A3 01 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x000001A324FE3320, 16 bytes long.
 Data: <&#248;n&#254;$&#163;           > F8 6E FE 24 A3 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000001A324FE36E0, 16 bytes long.
 Data: <&#208;n&#254;$&#163;           > D0 6E FE 24 A3 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000001A324FE1B00, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{282} normal block at 0x000001A324FE3B90, 16 bytes long.
 Data: <HH&#252;$&#163;           > 48 48 FC 24 A3 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000001A324FD8F90, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{280} normal block at 0x000001A324FE3690, 16 bytes long.
 Data: < H&#252;$&#163;           > 20 48 FC 24 A3 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x000001A324FE35F0, 16 bytes long.
 Data: <&#248;G&#252;$&#163;           > F8 47 FC 24 A3 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000001A324FE32D0, 16 bytes long.
 Data: <&#208;G&#252;$&#163;           > D0 47 FC 24 A3 01 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x000001A324FE3500, 16 bytes long.
 Data: <&#168;G&#252;$&#163;           > A8 47 FC 24 A3 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000001A324FE3280, 16 bytes long.
 Data: < G&#252;$&#163;           > 80 47 FC 24 A3 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x000001A324FE3A50, 16 bytes long.
 Data: <XG&#252;$&#163;           > 58 47 FC 24 A3 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x000001A324FD8ED0, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{272} normal block at 0x000001A324FE3B40, 16 bytes long.
 Data: <0G&#252;$&#163;           > 30 47 FC 24 A3 01 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x000001A324FC4730, 320 bytes long.
 Data: <@;&#254;$&#163;   &#208;&#142;&#253;$&#163;   > 40 3B FE 24 A3 01 00 00 D0 8E FD 24 A3 01 00 00 
{270} normal block at 0x000001A324FE3EB0, 16 bytes long.
 Data: <&#176;n&#254;$&#163;           > B0 6E FE 24 A3 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000001A324FE4180, 16 bytes long.
 Data: < n&#254;$&#163;           > 88 6E FE 24 A3 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000001A324FD9890, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{267} normal block at 0x000001A324FE4130, 16 bytes long.
 Data: <`n&#254;$&#163;           > 60 6E FE 24 A3 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000001A324FD9770, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{265} normal block at 0x000001A324FE3AF0, 16 bytes long.
 Data: <&#168;m&#254;$&#163;           > A8 6D FE 24 A3 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000001A324FE41D0, 16 bytes long.
 Data: < m&#254;$&#163;           > 80 6D FE 24 A3 01 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x000001A324FE3F00, 16 bytes long.
 Data: <Xm&#254;$&#163;           > 58 6D FE 24 A3 01 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x000001A324FE3FF0, 16 bytes long.
 Data: <0m&#254;$&#163;           > 30 6D FE 24 A3 01 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x000001A324FE3C80, 16 bytes long.
 Data: < m&#254;$&#163;           > 08 6D FE 24 A3 01 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x000001A324FE38C0, 16 bytes long.
 Data: <&#224;l&#254;$&#163;           > E0 6C FE 24 A3 01 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x000001A324FE3820, 16 bytes long.
 Data: <p &#254;$&#163;           > 70 1B FE 24 A3 01 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x000001A324FE1B70, 40 bytes long.
 Data: < 8&#254;$&#163;   0&#222; %&#163;   > 20 38 FE 24 A3 01 00 00 30 DE 0B 25 A3 01 00 00 
{256} normal block at 0x000001A324FE37D0, 16 bytes long.
 Data: <&#192;l&#254;$&#163;           > C0 6C FE 24 A3 01 00 00 00 00 00 00 00 00 00 00 
{255} normal block at 0x000001A324FE40E0, 16 bytes long.
 Data: < l&#254;$&#163;           > 98 6C FE 24 A3 01 00 00 00 00 00 00 00 00 00 00 
{254} normal block at 0x000001A324FD9410, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{253} normal block at 0x000001A324FE34B0, 16 bytes long.
 Data: <pl&#254;$&#163;           > 70 6C FE 24 A3 01 00 00 00 00 00 00 00 00 00 00 
{252} normal block at 0x000001A324FE6C70, 992 bytes long.
 Data: <&#176;4&#254;$&#163;    &#148;&#253;$&#163;   > B0 34 FE 24 A3 01 00 00 10 94 FD 24 A3 01 00 00 
{88} normal block at 0x000001A324FD9D70, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{87} normal block at 0x000001A324FE3460, 16 bytes long.
 Data: <  &#254;$&#163;           > 90 1A FE 24 A3 01 00 00 00 00 00 00 00 00 00 00 
{86} normal block at 0x000001A324FE1A90, 40 bytes long.
 Data: <`4&#254;$&#163;   p &#253;$&#163;   > 60 34 FE 24 A3 01 00 00 70 9D FD 24 A3 01 00 00 
{65} normal block at 0x000001A324FD8C10, 16 bytes long.
 Data: < &#234;SE&#246;           > 80 EA 53 45 F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x000001A324FD7EF0, 16 bytes long.
 Data: <@&#233;SE&#246;           > 40 E9 53 45 F6 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x000001A324FD8BC0, 16 bytes long.
 Data: <&#248;WPE&#246;           > F8 57 50 45 F6 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x000001A324FD8AD0, 16 bytes long.
 Data: <&#216;WPE&#246;           > D8 57 50 45 F6 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x000001A324FD88A0, 16 bytes long.
 Data: <P PE&#246;           > 50 04 50 45 F6 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x000001A324FD8850, 16 bytes long.
 Data: <0 PE&#246;           > 30 04 50 45 F6 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x000001A324FD8210, 16 bytes long.
 Data: <&#224; PE&#246;           > E0 02 50 45 F6 7F 00 00 00 00 00 00 00 00 00 00 
{58} normal block at 0x000001A324FD83F0, 16 bytes long.
 Data: <  PE&#246;           > 10 04 50 45 F6 7F 00 00 00 00 00 00 00 00 00 00 
{57} normal block at 0x000001A324FD8170, 16 bytes long.
 Data: <p PE&#246;           > 70 04 50 45 F6 7F 00 00 00 00 00 00 00 00 00 00 
{56} normal block at 0x000001A324FD7EA0, 16 bytes long.
 Data: < &#192;NE&#246;           > 18 C0 4E 45 F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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