Task 38647212

Name test_110-GPUGRID_TEST_ATM_4STEP_20261023-0-4-RND2192_0
Workunit 31591947
Created 23 Oct 2026, 20:01:23 UTC
Sent 23 Oct 2026, 20:01:37 UTC
Report deadline 28 Oct 2026, 20:01:37 UTC
Received 23 Oct 2026, 21:51:32 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 615524
Run time 1 hours 45 min 31 sec
CPU time 1 hours 43 min 26 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 2,238.46 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 672.11 MB
Peak swap size 5.21 GB
Peak disk usage 2.97 GB

Stderr output

<core_client_version>7.16.20</core_client_version>
<![CDATA[
<stderr_txt>
05:03:18 (37800): wrapper (7.9.26016): starting
05:03:18 (37800): 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
05:03:20 (37800): Library/usr/bin/tar.exe exited; CPU time 0.000000
05:03:20 (37800): 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 'D:\BOINC\slots\12\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 'D:\BOINC\slots\12\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
06:47:16 (37800): C:/Windows/system32/cmd.exe exited; CPU time 6206.031250
06:47:16 (37800): called boinc_finish(0)
0 bytes in 0 Free Blocks.
176 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: 136363971 bytes.
Dumping objects ->
{3835350} normal block at 0x000001723CA50D80, 48 bytes long.
 Data: <PATH=D:\BOINC\sl> 50 41 54 48 3D 44 3A 5C 42 4F 49 4E 43 5C 73 6C 
{3835339} normal block at 0x000001723CB92BC0, 32 bytes long.
 Data: <HOME=D:\BOINC\sl> 48 4F 4D 45 3D 44 3A 5C 42 4F 49 4E 43 5C 73 6C 
{3835328} normal block at 0x000001723CB91A80, 32 bytes long.
 Data: <TMP=D:\BOINC\slo> 54 4D 50 3D 44 3A 5C 42 4F 49 4E 43 5C 73 6C 6F 
{3835317} normal block at 0x000001723CB92200, 32 bytes long.
 Data: <TEMP=D:\BOINC\sl> 54 45 4D 50 3D 44 3A 5C 42 4F 49 4E 43 5C 73 6C 
{3835306} normal block at 0x000001723CB92260, 32 bytes long.
 Data: <TMPDIR=D:\BOINC\> 54 4D 50 44 49 52 3D 44 3A 5C 42 4F 49 4E 43 5C 
{3835275} normal block at 0x000001723CA508B0, 48 bytes long.
 Data: <PATH=D:\BOINC\sl> 50 41 54 48 3D 44 3A 5C 42 4F 49 4E 43 5C 73 6C 
..\api\boinc_api.cpp(309) : {3835262} normal block at 0x000001723AB756B0, 8 bytes long.
 Data: <  ]<r   > 00 00 5D 3C 72 01 00 00 
{3834045} normal block at 0x000001723AB75930, 8 bytes long.
 Data: < Y&#185;<r   > 00 59 B9 3C 72 01 00 00 
..\zip\boinc_zip.cpp(122) : {309} normal block at 0x000001723AB810E0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x000001723AB82020, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{293} normal block at 0x000001723AB82DF0, 16 bytes long.
 Data: < 4&#184;:r           > 08 34 B8 3A 72 01 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x000001723AB823A0, 16 bytes long.
 Data: < 3&#184;:r           > E0 33 B8 3A 72 01 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x000001723AB7BDD0, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{290} normal block at 0x000001723AB827B0, 16 bytes long.
 Data: <&#184;3&#184;:r           > B8 33 B8 3A 72 01 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x000001723AB82850, 16 bytes long.
 Data: < 3&#184;:r           > 90 33 B8 3A 72 01 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x000001723AB82760, 16 bytes long.
 Data: <h3&#184;:r           > 68 33 B8 3A 72 01 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x000001723AB82FD0, 16 bytes long.
 Data: <@3&#184;:r           > 40 33 B8 3A 72 01 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x000001723AB7A910, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{285} normal block at 0x000001723AB826C0, 16 bytes long.
 Data: <&#184; &#184;:r           > B8 1F B8 3A 72 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000001723AB7C850, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{283} normal block at 0x000001723AB82B70, 16 bytes long.
 Data: <  &#184;:r           > 90 1F B8 3A 72 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000001723AB82800, 16 bytes long.
 Data: <h &#184;:r           > 68 1F B8 3A 72 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000001723AB82670, 16 bytes long.
 Data: <@ &#184;:r           > 40 1F B8 3A 72 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000001723AB82AD0, 16 bytes long.
 Data: <  &#184;:r           > 18 1F B8 3A 72 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x000001723AB828F0, 16 bytes long.
 Data: <  &#184;:r           > F0 1E B8 3A 72 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000001723AB82B20, 16 bytes long.
 Data: <&#200; &#184;:r           > C8 1E B8 3A 72 01 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x000001723AB7C3D0, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{275} normal block at 0x000001723AB828A0, 16 bytes long.
 Data: <  &#184;:r           > A0 1E B8 3A 72 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x000001723AB81EA0, 320 bytes long.
 Data: < (&#184;:r   &#208;&#195;&#183;:r   > A0 28 B8 3A 72 01 00 00 D0 C3 B7 3A 72 01 00 00 
{273} normal block at 0x000001723AB82170, 16 bytes long.
 Data: < 3&#184;:r           > 20 33 B8 3A 72 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000001723AB82A80, 16 bytes long.
 Data: < 2&#184;:r           > F8 32 B8 3A 72 01 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x000001723AB7C370, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{270} normal block at 0x000001723AB82120, 16 bytes long.
 Data: <&#208;2&#184;:r           > D0 32 B8 3A 72 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000001723AB7BE30, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{268} normal block at 0x000001723AB829E0, 16 bytes long.
 Data: < 2&#184;:r           > 18 32 B8 3A 72 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000001723AB82620, 16 bytes long.
 Data: < 1&#184;:r           > F0 31 B8 3A 72 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000001723AB82A30, 16 bytes long.
 Data: <&#200;1&#184;:r           > C8 31 B8 3A 72 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x000001723AB82F80, 16 bytes long.
 Data: < 1&#184;:r           > A0 31 B8 3A 72 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000001723AB82BC0, 16 bytes long.
 Data: <x1&#184;:r           > 78 31 B8 3A 72 01 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x000001723AB83020, 16 bytes long.
 Data: <P1&#184;:r           > 50 31 B8 3A 72 01 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x000001723AB825D0, 16 bytes long.
 Data: < &#172;&#183;:r           > 20 AC B7 3A 72 01 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x000001723AB7AC20, 40 bytes long.
 Data: <&#208;%&#184;:r   &#176; &#165;<r   > D0 25 B8 3A 72 01 00 00 B0 08 A5 3C 72 01 00 00 
{259} normal block at 0x000001723AB82350, 16 bytes long.
 Data: <01&#184;:r           > 30 31 B8 3A 72 01 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x000001723AB82D50, 16 bytes long.
 Data: < 1&#184;:r           > 08 31 B8 3A 72 01 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x000001723AB7C790, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{256} normal block at 0x000001723AB82940, 16 bytes long.
 Data: < 0&#184;:r           > E0 30 B8 3A 72 01 00 00 00 00 00 00 00 00 00 00 
{255} normal block at 0x000001723AB830E0, 992 bytes long.
 Data: <@)&#184;:r    &#199;&#183;:r   > 40 29 B8 3A 72 01 00 00 90 C7 B7 3A 72 01 00 00 
{91} normal block at 0x000001723AB7C9D0, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{90} normal block at 0x000001723AB75E80, 16 bytes long.
 Data: <&#208;&#170;&#183;:r           > D0 AA B7 3A 72 01 00 00 00 00 00 00 00 00 00 00 
{89} normal block at 0x000001723AB7AAD0, 40 bytes long.
 Data: < ^&#183;:r   &#208;&#201;&#183;:r   > 80 5E B7 3A 72 01 00 00 D0 C9 B7 3A 72 01 00 00 
{66} normal block at 0x000001723AB75D90, 16 bytes long.
 Data: <                > 80 EA 19 99 F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000001723AB75DE0, 16 bytes long.
 Data: <@               > 40 E9 19 99 F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x000001723AB76060, 16 bytes long.
 Data: < W              > F8 57 16 99 F6 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x000001723AB75700, 16 bytes long.
 Data: <&#216;W              > D8 57 16 99 F6 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x000001723AB75BB0, 16 bytes long.
 Data: <P               > 50 04 16 99 F6 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x000001723AB75CF0, 16 bytes long.
 Data: <0               > 30 04 16 99 F6 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x000001723AB76150, 16 bytes long.
 Data: <                > E0 02 16 99 F6 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x000001723AB759D0, 16 bytes long.
 Data: <                > 10 04 16 99 F6 7F 00 00 00 00 00 00 00 00 00 00 
{58} normal block at 0x000001723AB75CA0, 16 bytes long.
 Data: <p               > 70 04 16 99 F6 7F 00 00 00 00 00 00 00 00 00 00 
{57} normal block at 0x000001723AB758E0, 16 bytes long.
 Data: < &#192;              > 18 C0 14 99 F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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