Task 38683960

Name test_18-GPUGRID_TEST_ATM_40STEP_20261023-30-40-RND6570_0
Workunit 31625493
Created 27 Oct 2026, 14:05:16 UTC
Sent 27 Oct 2026, 14:05:28 UTC
Report deadline 1 Nov 2026, 14:05:28 UTC
Received 27 Oct 2026, 14:26:03 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 638078
Run time 20 min 21 sec
CPU time 16 min 17 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 51,075.63 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 802.12 MB
Peak swap size 10.08 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.4</core_client_version>
<![CDATA[
<stderr_txt>
15:06:12 (16720): wrapper (7.9.26016): starting
15:06:12 (16720): 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
15:06:13 (16720): Library/usr/bin/tar.exe exited; CPU time 0.000000
15:06:13 (16720): 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:\ProgramData\BOINC\slots\24\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:\ProgramData\BOINC\slots\24\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
15:25:51 (16720): C:/Windows/system32/cmd.exe exited; CPU time 977.125000
15:25:51 (16720): called boinc_finish(0)
0 bytes in 0 Free Blocks.
426 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: 26856670 bytes.
Dumping objects ->
{3835471} normal block at 0x0000025329EABC30, 48 bytes long.
 Data: <PATH=D:\ProgramD> 50 41 54 48 3D 44 3A 5C 50 72 6F 67 72 61 6D 44 
{3835460} normal block at 0x0000025329EAC2C0, 48 bytes long.
 Data: <HOME=D:\ProgramD> 48 4F 4D 45 3D 44 3A 5C 50 72 6F 67 72 61 6D 44 
{3835449} normal block at 0x0000025328064970, 48 bytes long.
 Data: <TMP=D:\ProgramDa> 54 4D 50 3D 44 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835438} normal block at 0x00000253280647B0, 48 bytes long.
 Data: <TEMP=D:\ProgramD> 54 45 4D 50 3D 44 3A 5C 50 72 6F 67 72 61 6D 44 
{3835427} normal block at 0x00000253280645F0, 48 bytes long.
 Data: <TMPDIR=D:\Progra> 54 4D 50 44 49 52 3D 44 3A 5C 50 72 6F 67 72 61 
{3835396} normal block at 0x0000025329E59400, 64 bytes long.
 Data: <PATH=D:\ProgramD> 50 41 54 48 3D 44 3A 5C 50 72 6F 67 72 61 6D 44 
{3835385} normal block at 0x0000025329E6C5E0, 85 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) : {3835382} normal block at 0x000002532805DAB0, 8 bytes long.
 Data: <   (S   > 00 00 02 28 53 02 00 00 
{3834663} normal block at 0x0000025329E6BA00, 85 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833969} normal block at 0x000002532805D0B0, 8 bytes long.
 Data: <p&#174;&#234;)S   > 70 AE EA 29 53 02 00 00 
..\zip\boinc_zip.cpp(122) : {316} normal block at 0x0000025328060EF0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{301} normal block at 0x000002532804EA80, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{300} normal block at 0x0000025328065680, 16 bytes long.
 Data: <(c (S           > 28 63 06 28 53 02 00 00 00 00 00 00 00 00 00 00 
{299} normal block at 0x0000025328065220, 16 bytes long.
 Data: < c (S           > 00 63 06 28 53 02 00 00 00 00 00 00 00 00 00 00 
{298} normal block at 0x000002532805EEC0, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{297} normal block at 0x0000025328065E50, 16 bytes long.
 Data: <&#216;b (S           > D8 62 06 28 53 02 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x00000253280657C0, 16 bytes long.
 Data: <&#176;b (S           > B0 62 06 28 53 02 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x0000025328065630, 16 bytes long.
 Data: < b (S           > 88 62 06 28 53 02 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x0000025328065180, 16 bytes long.
 Data: <`b (S           > 60 62 06 28 53 02 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x0000025328064B30, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{292} normal block at 0x0000025328065E00, 16 bytes long.
 Data: <x&#250; (S           > 78 FA 04 28 53 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x000002532805F280, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{290} normal block at 0x0000025328065DB0, 16 bytes long.
 Data: <P&#250; (S           > 50 FA 04 28 53 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x0000025328065360, 16 bytes long.
 Data: <(&#250; (S           > 28 FA 04 28 53 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x0000025328065270, 16 bytes long.
 Data: < &#250; (S           > 00 FA 04 28 53 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x0000025328065D10, 16 bytes long.
 Data: <&#216;&#249; (S           > D8 F9 04 28 53 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x00000253280655E0, 16 bytes long.
 Data: <&#176;&#249; (S           > B0 F9 04 28 53 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x0000025328065EF0, 16 bytes long.
 Data: < &#249; (S           > 88 F9 04 28 53 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000002532805ECE0, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{282} normal block at 0x0000025328065540, 16 bytes long.
 Data: <`&#249; (S           > 60 F9 04 28 53 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000002532804F960, 320 bytes long.
 Data: <@U (S   &#224;&#236; (S   > 40 55 06 28 53 02 00 00 E0 EC 05 28 53 02 00 00 
{280} normal block at 0x0000025328065CC0, 16 bytes long.
 Data: <@b (S           > 40 62 06 28 53 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x00000253280659A0, 16 bytes long.
 Data: < b (S           > 18 62 06 28 53 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x000002532805EE60, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{277} normal block at 0x0000025328065C20, 16 bytes long.
 Data: <&#240;a (S           > F0 61 06 28 53 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x000002532805EE00, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{275} normal block at 0x0000025328065C70, 16 bytes long.
 Data: <8a (S           > 38 61 06 28 53 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x00000253280654F0, 16 bytes long.
 Data: < a (S           > 10 61 06 28 53 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x0000025328065BD0, 16 bytes long.
 Data: <&#232;` (S           > E8 60 06 28 53 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x00000253280654A0, 16 bytes long.
 Data: <&#192;` (S           > C0 60 06 28 53 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x0000025328065D60, 16 bytes long.
 Data: < ` (S           > 98 60 06 28 53 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x0000025328065130, 16 bytes long.
 Data: <p` (S           > 70 60 06 28 53 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x0000025328065590, 16 bytes long.
 Data: <&#208;F (S           > D0 46 06 28 53 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x00000253280646D0, 40 bytes long.
 Data: < U (S    &#148;&#229;)S   > 90 55 06 28 53 02 00 00 00 94 E5 29 53 02 00 00 
{266} normal block at 0x0000025328065AE0, 16 bytes long.
 Data: <P` (S           > 50 60 06 28 53 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x00000253280653B0, 16 bytes long.
 Data: <(` (S           > 28 60 06 28 53 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000002532805EC80, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{263} normal block at 0x0000025328065B30, 16 bytes long.
 Data: < ` (S           > 00 60 06 28 53 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x0000025328066000, 992 bytes long.
 Data: <0[ (S    &#236; (S   > 30 5B 06 28 53 02 00 00 80 EC 05 28 53 02 00 00 
{98} normal block at 0x000002532805F400, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{97} normal block at 0x000002532805D060, 16 bytes long.
 Data: < &#196; (S           > 90 C4 04 28 53 02 00 00 00 00 00 00 00 00 00 00 
{96} normal block at 0x000002532804C490, 40 bytes long.
 Data: <`&#208; (S    &#244; (S   > 60 D0 05 28 53 02 00 00 00 F4 05 28 53 02 00 00 
{75} normal block at 0x000002532805D4C0, 16 bytes long.
 Data: < &#234; &#139;&#246;           > 80 EA 1B 8B F6 7F 00 00 00 00 00 00 00 00 00 00 
{74} normal block at 0x000002532805D290, 16 bytes long.
 Data: <@&#233; &#139;&#246;           > 40 E9 1B 8B F6 7F 00 00 00 00 00 00 00 00 00 00 
{73} normal block at 0x000002532805D510, 16 bytes long.
 Data: <&#248;W &#139;&#246;           > F8 57 18 8B F6 7F 00 00 00 00 00 00 00 00 00 00 
{72} normal block at 0x000002532805D5B0, 16 bytes long.
 Data: <&#216;W &#139;&#246;           > D8 57 18 8B F6 7F 00 00 00 00 00 00 00 00 00 00 
{71} normal block at 0x000002532805CFC0, 16 bytes long.
 Data: <P  &#139;&#246;           > 50 04 18 8B F6 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x000002532805D1A0, 16 bytes long.
 Data: <0  &#139;&#246;           > 30 04 18 8B F6 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x000002532805D9C0, 16 bytes long.
 Data: <&#224;  &#139;&#246;           > E0 02 18 8B F6 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x000002532805D970, 16 bytes long.
 Data: <   &#139;&#246;           > 10 04 18 8B F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x000002532805D3D0, 16 bytes long.
 Data: <p  &#139;&#246;           > 70 04 18 8B F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000002532805CF70, 16 bytes long.
 Data: < &#192; &#139;&#246;           > 18 C0 16 8B F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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