Task 38680404

Name test_467-GPUGRID_TEST_ATM_40STEP_20261023-30-40-RND2927_0
Workunit 31622125
Created 26 Oct 2026, 23:50:12 UTC
Sent 26 Oct 2026, 23:50:17 UTC
Report deadline 31 Oct 2026, 23:50:17 UTC
Received 27 Oct 2026, 0:11:59 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 646979
Run time 20 min 4 sec
CPU time 17 min 19 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 83,070.51 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 762.53 MB
Peak swap size 10.05 GB
Peak disk usage 3.76 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
08:52:16 (28328): wrapper (7.9.26016): starting
08:52:16 (28328): 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
08:52:17 (28328): Library/usr/bin/tar.exe exited; CPU time 0.000000
08:52:17 (28328): 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\25\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\25\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
09:11:34 (28328): C:/Windows/system32/cmd.exe exited; CPU time 1039.031250
09:11:34 (28328): called boinc_finish(0)
0 bytes in 0 Free Blocks.
456 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: 22546429 bytes.
Dumping objects ->
{3835586} normal block at 0x000001A43523C7E0, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835575} normal block at 0x000001A43523BF20, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835564} normal block at 0x000001A4331446A0, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835553} normal block at 0x000001A433144710, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835542} normal block at 0x000001A4331448D0, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835511} normal block at 0x000001A435288260, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835500} normal block at 0x000001A43529B900, 100 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) : {3835497} normal block at 0x000001A43313EF90, 8 bytes long.
 Data: <  e3&#164;   > 00 00 65 33 A4 01 00 00 
{3834771} normal block at 0x000001A43529CBC0, 100 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3834061} normal block at 0x000001A43313EB80, 8 bytes long.
 Data: < &#217; 3&#164;   > F0 D9 12 33 A4 01 00 00 
..\zip\boinc_zip.cpp(122) : {313} normal block at 0x000001A433141030, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{298} normal block at 0x000001A433135A00, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{297} normal block at 0x000001A433145EA0, 16 bytes long.
 Data: < S 3&#164;           > F8 53 14 33 A4 01 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x000001A433146440, 16 bytes long.
 Data: <&#208;S 3&#164;           > D0 53 14 33 A4 01 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x000001A43313CD40, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{294} normal block at 0x000001A433145E00, 16 bytes long.
 Data: <&#168;S 3&#164;           > A8 53 14 33 A4 01 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x000001A4331463F0, 16 bytes long.
 Data: < S 3&#164;           > 80 53 14 33 A4 01 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x000001A433145860, 16 bytes long.
 Data: <XS 3&#164;           > 58 53 14 33 A4 01 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x000001A4331459A0, 16 bytes long.
 Data: <0S 3&#164;           > 30 53 14 33 A4 01 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x000001A433144940, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{289} normal block at 0x000001A4331458B0, 16 bytes long.
 Data: < &#183; 3&#164;           > 88 B7 12 33 A4 01 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x000001A43313CC80, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{287} normal block at 0x000001A4331461C0, 16 bytes long.
 Data: <`&#183; 3&#164;           > 60 B7 12 33 A4 01 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x000001A433145BD0, 16 bytes long.
 Data: <8&#183; 3&#164;           > 38 B7 12 33 A4 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000001A433145720, 16 bytes long.
 Data: < &#183; 3&#164;           > 10 B7 12 33 A4 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000001A4331462B0, 16 bytes long.
 Data: < &#182; 3&#164;           > E8 B6 12 33 A4 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000001A433145810, 16 bytes long.
 Data: <&#192;&#182; 3&#164;           > C0 B6 12 33 A4 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000001A433145D10, 16 bytes long.
 Data: < &#182; 3&#164;           > 98 B6 12 33 A4 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000001A43313D9A0, 32 bytes long.
 Data: <CUDA_DEVICE=1 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 31 00 50 55 
{279} normal block at 0x000001A433145900, 16 bytes long.
 Data: <p&#182; 3&#164;           > 70 B6 12 33 A4 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x000001A43312B670, 320 bytes long.
 Data: < Y 3&#164;    &#217; 3&#164;   > 00 59 14 33 A4 01 00 00 A0 D9 13 33 A4 01 00 00 
{277} normal block at 0x000001A433145DB0, 16 bytes long.
 Data: < S 3&#164;           > 10 53 14 33 A4 01 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x000001A433145C20, 16 bytes long.
 Data: < R 3&#164;           > E8 52 14 33 A4 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000001A43313CB60, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{274} normal block at 0x000001A4331457C0, 16 bytes long.
 Data: <&#192;R 3&#164;           > C0 52 14 33 A4 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x000001A43313D340, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{272} normal block at 0x000001A433145770, 16 bytes long.
 Data: < R 3&#164;           > 08 52 14 33 A4 01 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x000001A433145950, 16 bytes long.
 Data: < Q 3&#164;           > E0 51 14 33 A4 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x000001A433145540, 16 bytes long.
 Data: <&#184;Q 3&#164;           > B8 51 14 33 A4 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000001A433145A40, 16 bytes long.
 Data: < Q 3&#164;           > 90 51 14 33 A4 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000001A433146170, 16 bytes long.
 Data: <hQ 3&#164;           > 68 51 14 33 A4 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000001A43313E810, 16 bytes long.
 Data: <@Q 3&#164;           > 40 51 14 33 A4 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x000001A43313EE00, 16 bytes long.
 Data: < J 3&#164;           > 20 4A 14 33 A4 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000001A433144A20, 40 bytes long.
 Data: <   3&#164;   ` (5&#164;   > 00 EE 13 33 A4 01 00 00 60 82 28 35 A4 01 00 00 
{263} normal block at 0x000001A43313ECC0, 16 bytes long.
 Data: < Q 3&#164;           > 20 51 14 33 A4 01 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x000001A43313F440, 16 bytes long.
 Data: < P 3&#164;           > F8 50 14 33 A4 01 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x000001A43313CE60, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{260} normal block at 0x000001A43313F300, 16 bytes long.
 Data: <&#208;P 3&#164;           > D0 50 14 33 A4 01 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x000001A4331450D0, 992 bytes long.
 Data: <   3&#164;   `&#206; 3&#164;   > 00 F3 13 33 A4 01 00 00 60 CE 13 33 A4 01 00 00 
{95} normal block at 0x000001A43313CCE0, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{94} normal block at 0x000001A43313ED60, 16 bytes long.
 Data: <&#192;  3&#164;           > C0 F0 12 33 A4 01 00 00 00 00 00 00 00 00 00 00 
{93} normal block at 0x000001A43312F0C0, 40 bytes long.
 Data: <`  3&#164;    &#204; 3&#164;   > 60 ED 13 33 A4 01 00 00 E0 CC 13 33 A4 01 00 00 
{70} normal block at 0x000001A43313E9F0, 16 bytes long.
 Data: <                > 80 EA E9 F7 F7 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x000001A43313E900, 16 bytes long.
 Data: <@               > 40 E9 E9 F7 F7 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x000001A43313EF40, 16 bytes long.
 Data: < W              > F8 57 E6 F7 F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x000001A43313E6D0, 16 bytes long.
 Data: <&#216;W              > D8 57 E6 F7 F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000001A43313EEF0, 16 bytes long.
 Data: <P               > 50 04 E6 F7 F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000001A43313EB30, 16 bytes long.
 Data: <0               > 30 04 E6 F7 F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x000001A43313F4E0, 16 bytes long.
 Data: <                > E0 02 E6 F7 F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x000001A43313F080, 16 bytes long.
 Data: <                > 10 04 E6 F7 F7 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x000001A43313EEA0, 16 bytes long.
 Data: <p               > 70 04 E6 F7 F7 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x000001A43313E770, 16 bytes long.
 Data: < &#192;              > 18 C0 E4 F7 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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