Task 38686613

Name test_890-GPUGRID_TEST_ATM_40STEP_20261023-31-40-RND1008_0
Workunit 31628039
Created 28 Oct 2026, 3:29:34 UTC
Sent 28 Oct 2026, 3:29:35 UTC
Report deadline 2 Nov 2026, 3:29:35 UTC
Received 28 Oct 2026, 5:05:38 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 606123
Run time 31 min 23 sec
CPU time 31 min 6 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 29,771.31 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 697.22 MB
Peak swap size 9.98 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
06:30:47 (15112): wrapper (7.9.26016): starting
06:30:47 (15112): 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
06:30:48 (15112): Library/usr/bin/tar.exe exited; CPU time 0.015625
06:30:48 (15112): 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\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 'C:\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
07:05:09 (15112): C:/Windows/system32/cmd.exe exited; CPU time 1866.562500
07:05:09 (15112): called boinc_finish(0)
0 bytes in 0 Free Blocks.
616 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: 39349061 bytes.
Dumping objects ->
{3835255} normal block at 0x000001C1E37E6080, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835244} normal block at 0x000001C1E37E5FA0, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835233} normal block at 0x000001C1E37E6010, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835222} normal block at 0x000001C1E37E5600, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835211} normal block at 0x000001C1E37E5440, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835180} normal block at 0x000001C1E531B240, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835169} normal block at 0x000001C1E52742B0, 180 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) : {3835166} normal block at 0x000001C1E37B5EB0, 8 bytes long.
 Data: <  w&#227;&#193;   > 00 00 77 E3 C1 01 00 00 
{3834558} normal block at 0x000001C1E5273D10, 180 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833955} normal block at 0x000001C1E37B6860, 8 bytes long.
 Data: < &#233;&#137;&#227;&#193;   > 10 E9 89 E3 C1 01 00 00 
..\zip\boinc_zip.cpp(122) : {309} normal block at 0x000001C1E37C0780, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x000001C1E37C1800, 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 0x000001C1E37C22B0, 16 bytes long.
 Data: < 1|&#227;&#193;           > 98 31 7C E3 C1 01 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x000001C1E37C1AE0, 16 bytes long.
 Data: <p1|&#227;&#193;           > 70 31 7C E3 C1 01 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x000001C1E37BC520, 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 0x000001C1E37C1A90, 16 bytes long.
 Data: <H1|&#227;&#193;           > 48 31 7C E3 C1 01 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x000001C1E37C1F40, 16 bytes long.
 Data: < 1|&#227;&#193;           > 20 31 7C E3 C1 01 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x000001C1E37C1EF0, 16 bytes long.
 Data: <&#248;0|&#227;&#193;           > F8 30 7C E3 C1 01 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x000001C1E37C19F0, 16 bytes long.
 Data: <&#208;0|&#227;&#193;           > D0 30 7C E3 C1 01 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x000001C1E37BABB0, 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 0x000001C1E37C2260, 16 bytes long.
 Data: <  |&#227;&#193;           > 98 17 7C E3 C1 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000001C1E37BC3A0, 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 0x000001C1E37C1E50, 16 bytes long.
 Data: <p |&#227;&#193;           > 70 17 7C E3 C1 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000001C1E37C27B0, 16 bytes long.
 Data: <H |&#227;&#193;           > 48 17 7C E3 C1 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000001C1E37C19A0, 16 bytes long.
 Data: <  |&#227;&#193;           > 20 17 7C E3 C1 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000001C1E37C1C70, 16 bytes long.
 Data: <&#248; |&#227;&#193;           > F8 16 7C E3 C1 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x000001C1E37C2440, 16 bytes long.
 Data: <&#208; |&#227;&#193;           > D0 16 7C E3 C1 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000001C1E37C2210, 16 bytes long.
 Data: <&#168; |&#227;&#193;           > A8 16 7C E3 C1 01 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x000001C1E37BC280, 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 0x000001C1E37C1C20, 16 bytes long.
 Data: <&#128; |&#227;&#193;           > 80 16 7C E3 C1 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x000001C1E37C1680, 320 bytes long.
 Data: <  |&#227;&#193;   &#128;&#194;{&#227;&#193;   > 20 1C 7C E3 C1 01 00 00 80 C2 7B E3 C1 01 00 00 
{273} normal block at 0x000001C1E37C21C0, 16 bytes long.
 Data: <&#176;0|&#227;&#193;           > B0 30 7C E3 C1 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000001C1E37C2760, 16 bytes long.
 Data: < 0|&#227;&#193;           > 88 30 7C E3 C1 01 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x000001C1E37BC160, 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 0x000001C1E37C2170, 16 bytes long.
 Data: <`0|&#227;&#193;           > 60 30 7C E3 C1 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000001C1E37BC340, 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 0x000001C1E37C1BD0, 16 bytes long.
 Data: <&#168;/|&#227;&#193;           > A8 2F 7C E3 C1 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000001C1E37C2850, 16 bytes long.
 Data: <&#128;/|&#227;&#193;           > 80 2F 7C E3 C1 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000001C1E37C2080, 16 bytes long.
 Data: <X/|&#227;&#193;           > 58 2F 7C E3 C1 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x000001C1E37C2800, 16 bytes long.
 Data: <0/|&#227;&#193;           > 30 2F 7C E3 C1 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000001C1E37C20D0, 16 bytes long.
 Data: < /|&#227;&#193;           > 08 2F 7C E3 C1 01 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x000001C1E37C1F90, 16 bytes long.
 Data: <&#224;.|&#227;&#193;           > E0 2E 7C E3 C1 01 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x000001C1E37C2620, 16 bytes long.
 Data: <&#144;&#172;{&#227;&#193;           > 90 AC 7B E3 C1 01 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x000001C1E37BAC90, 40 bytes long.
 Data: < &|&#227;&#193;   @&#178;1&#229;&#193;   > 20 26 7C E3 C1 01 00 00 40 B2 31 E5 C1 01 00 00 
{259} normal block at 0x000001C1E37C1A40, 16 bytes long.
 Data: <&#192;.|&#227;&#193;           > C0 2E 7C E3 C1 01 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x000001C1E37C24E0, 16 bytes long.
 Data: < .|&#227;&#193;           > 98 2E 7C E3 C1 01 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x000001C1E37BCBE0, 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 0x000001C1E37C1950, 16 bytes long.
 Data: <p.|&#227;&#193;           > 70 2E 7C E3 C1 01 00 00 00 00 00 00 00 00 00 00 
{255} normal block at 0x000001C1E37C2E70, 992 bytes long.
 Data: <P |&#227;&#193;   &#224;&#203;{&#227;&#193;   > 50 19 7C E3 C1 01 00 00 E0 CB 7B E3 C1 01 00 00 
{91} normal block at 0x000001C1E37BC6A0, 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 0x000001C1E37B5FF0, 16 bytes long.
 Data: <&#192;&#174;{&#227;&#193;           > C0 AE 7B E3 C1 01 00 00 00 00 00 00 00 00 00 00 
{89} normal block at 0x000001C1E37BAEC0, 40 bytes long.
 Data: <&#240;_{&#227;&#193;   &#160;&#198;{&#227;&#193;   > F0 5F 7B E3 C1 01 00 00 A0 C6 7B E3 C1 01 00 00 
{68} normal block at 0x000001C1E37B5E60, 16 bytes long.
 Data: <&#128;&#234; \&#247;           > 80 EA 11 5C F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x000001C1E37B68B0, 16 bytes long.
 Data: <@&#233; \&#247;           > 40 E9 11 5C F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000001C1E37B5C80, 16 bytes long.
 Data: <&#248;W \&#247;           > F8 57 0E 5C F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000001C1E37B6680, 16 bytes long.
 Data: <&#216;W \&#247;           > D8 57 0E 5C F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x000001C1E37B6630, 16 bytes long.
 Data: <P  \&#247;           > 50 04 0E 5C F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x000001C1E37B60E0, 16 bytes long.
 Data: <0  \&#247;           > 30 04 0E 5C F7 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x000001C1E37B6180, 16 bytes long.
 Data: <&#224;  \&#247;           > E0 02 0E 5C F7 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x000001C1E37B61D0, 16 bytes long.
 Data: <   \&#247;           > 10 04 0E 5C F7 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x000001C1E37B5D70, 16 bytes long.
 Data: <p  \&#247;           > 70 04 0E 5C F7 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x000001C1E37B65E0, 16 bytes long.
 Data: < &#192; \&#247;           > 18 C0 0C 5C F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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