Task 38670413

Name test_902-GPUGRID_TEST_ATM_40STEP_20261023-13-40-RND5885_0
Workunit 31612665
Created 25 Oct 2026, 17:26:51 UTC
Sent 25 Oct 2026, 17:27:01 UTC
Report deadline 30 Oct 2026, 17:27:01 UTC
Received 25 Oct 2026, 18:46:01 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 609406
Run time 1 hours 4 min 35 sec
CPU time 1 hours 0 min 36 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 5,072.41 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 713.62 MB
Peak swap size 9.74 GB
Peak disk usage 3.93 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
10:42:20 (30000): wrapper (7.9.26016): starting
10:42:20 (30000): 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
10:42:26 (30000): Library/usr/bin/tar.exe exited; CPU time 0.015625
10:42:26 (30000): 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\0\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\0\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
11:44:43 (30000): C:/Windows/system32/cmd.exe exited; CPU time 3636.109375
11:44:43 (30000): called boinc_finish(0)
0 bytes in 0 Free Blocks.
256 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: 74583089 bytes.
Dumping objects ->
{3835195} normal block at 0x0000018144871170, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835184} normal block at 0x0000018144870AE0, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835173} normal block at 0x0000018144870CA0, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835162} normal block at 0x0000018144824630, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835151} normal block at 0x00000181448247F0, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835120} normal block at 0x00000181466A4500, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
..\api\boinc_api.cpp(309) : {3835107} normal block at 0x000001814481E880, 8 bytes long.
 Data: <  &#223;D    > 00 00 DF 44 81 01 00 00 
{3833957} normal block at 0x000001814481F370, 8 bytes long.
 Data: <&#240;8pF    > F0 38 70 46 81 01 00 00 
..\zip\boinc_zip.cpp(122) : {310} normal block at 0x0000018144821250, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x0000018144815E90, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{294} normal block at 0x00000181448261C0, 16 bytes long.
 Data: <&#200;V&#130;D            > C8 56 82 44 81 01 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x0000018144826170, 16 bytes long.
 Data: <&#160;V&#130;D            > A0 56 82 44 81 01 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x0000018144820540, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{291} normal block at 0x0000018144825A90, 16 bytes long.
 Data: <xV&#130;D            > 78 56 82 44 81 01 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x00000181448258B0, 16 bytes long.
 Data: <PV&#130;D            > 50 56 82 44 81 01 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x0000018144825C20, 16 bytes long.
 Data: <(V&#130;D            > 28 56 82 44 81 01 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x00000181448265D0, 16 bytes long.
 Data: < V&#130;D            > 00 56 82 44 81 01 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x0000018144824940, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{286} normal block at 0x0000018144825860, 16 bytes long.
 Data: <&#232;  D            > E8 8F 81 44 81 01 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x000001814481FAC0, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{284} normal block at 0x0000018144825810, 16 bytes long.
 Data: <&#192;  D            > C0 8F 81 44 81 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x0000018144826350, 16 bytes long.
 Data: <   D            > 98 8F 81 44 81 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x00000181448263F0, 16 bytes long.
 Data: <p  D            > 70 8F 81 44 81 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x0000018144825DB0, 16 bytes long.
 Data: <H  D            > 48 8F 81 44 81 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x0000018144826670, 16 bytes long.
 Data: <   D            > 20 8F 81 44 81 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x00000181448266C0, 16 bytes long.
 Data: <&#248;&#142; D            > F8 8E 81 44 81 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x0000018144820480, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{276} normal block at 0x0000018144825EA0, 16 bytes long.
 Data: <&#208;&#142; D            > D0 8E 81 44 81 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x0000018144818ED0, 320 bytes long.
 Data: <&#160;^&#130;D      &#130;D    > A0 5E 82 44 81 01 00 00 80 04 82 44 81 01 00 00 
{274} normal block at 0x0000018144825B30, 16 bytes long.
 Data: <&#224;U&#130;D            > E0 55 82 44 81 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x00000181448264E0, 16 bytes long.
 Data: <&#184;U&#130;D            > B8 55 82 44 81 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000001814481F8E0, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{271} normal block at 0x0000018144826530, 16 bytes long.
 Data: < U&#130;D            > 90 55 82 44 81 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x000001814481F880, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{269} normal block at 0x0000018144826260, 16 bytes long.
 Data: <&#216;T&#130;D            > D8 54 82 44 81 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x0000018144826710, 16 bytes long.
 Data: <&#176;T&#130;D            > B0 54 82 44 81 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x0000018144826440, 16 bytes long.
 Data: < T&#130;D            > 88 54 82 44 81 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x0000018144825E50, 16 bytes long.
 Data: <`T&#130;D            > 60 54 82 44 81 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x0000018144826490, 16 bytes long.
 Data: <8T&#130;D            > 38 54 82 44 81 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000001814481E970, 16 bytes long.
 Data: < T&#130;D            > 10 54 82 44 81 01 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x000001814481F2D0, 16 bytes long.
 Data: <&#208;H&#130;D            > D0 48 82 44 81 01 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x00000181448248D0, 40 bytes long.
 Data: <&#208;&#242; D     EjF    > D0 F2 81 44 81 01 00 00 00 45 6A 46 81 01 00 00 
{260} normal block at 0x000001814481F280, 16 bytes long.
 Data: <&#240;S&#130;D            > F0 53 82 44 81 01 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x000001814481EBA0, 16 bytes long.
 Data: <&#200;S&#130;D            > C8 53 82 44 81 01 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x0000018144820060, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{257} normal block at 0x000001814481EF60, 16 bytes long.
 Data: <&#160;S&#130;D            > A0 53 82 44 81 01 00 00 00 00 00 00 00 00 00 00 
{256} normal block at 0x00000181448253A0, 992 bytes long.
 Data: <`&#239; D    ` &#130;D    > 60 EF 81 44 81 01 00 00 60 00 82 44 81 01 00 00 
{92} normal block at 0x00000181448204E0, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{91} normal block at 0x000001814481F050, 16 bytes long.
 Data: <`H&#130;D            > 60 48 82 44 81 01 00 00 00 00 00 00 00 00 00 00 
{90} normal block at 0x0000018144824860, 40 bytes long.
 Data: <P&#240; D    &#224; &#130;D    > 50 F0 81 44 81 01 00 00 E0 04 82 44 81 01 00 00 
{69} normal block at 0x000001814481F5A0, 16 bytes long.
 Data: < &#234;{&#199;&#247;           > 80 EA 7B C7 F7 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x000001814481EAB0, 16 bytes long.
 Data: <@&#233;{&#199;&#247;           > 40 E9 7B C7 F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x000001814481F550, 16 bytes long.
 Data: <&#248;Wx&#199;&#247;           > F8 57 78 C7 F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000001814481ED80, 16 bytes long.
 Data: <&#216;Wx&#199;&#247;           > D8 57 78 C7 F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000001814481F0A0, 16 bytes long.
 Data: <P x&#199;&#247;           > 50 04 78 C7 F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x000001814481F460, 16 bytes long.
 Data: <0 x&#199;&#247;           > 30 04 78 C7 F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x000001814481F3C0, 16 bytes long.
 Data: <&#224; x&#199;&#247;           > E0 02 78 C7 F7 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x000001814481EBF0, 16 bytes long.
 Data: <  x&#199;&#247;           > 10 04 78 C7 F7 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x000001814481F190, 16 bytes long.
 Data: <p x&#199;&#247;           > 70 04 78 C7 F7 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x000001814481EFB0, 16 bytes long.
 Data: < &#192;v&#199;&#247;           > 18 C0 76 C7 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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