Task 38687200

Name test_803-GPUGRID_TEST_ATM_40STEP_20261023-16-40-RND8253_0
Workunit 31628597
Created 28 Oct 2026, 6:30:00 UTC
Sent 28 Oct 2026, 6:30:04 UTC
Report deadline 2 Nov 2026, 6:30:04 UTC
Received 28 Oct 2026, 6:45:25 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 626084
Run time 13 min 24 sec
CPU time 11 min 43 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 82,578.99 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 739.79 MB
Peak swap size 13.15 GB
Peak disk usage 3.02 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
07:30:54 (12516): wrapper (7.9.26016): starting
07:30:54 (12516): 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
07:30:55 (12516): Library/usr/bin/tar.exe exited; CPU time 0.000000
07:30:55 (12516): 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
07:43:45 (12516): C:/Windows/system32/cmd.exe exited; CPU time 703.109375
07:43:45 (12516): called boinc_finish(0)
0 bytes in 0 Free Blocks.
460 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: 10662911 bytes.
Dumping objects ->
{3835237} normal block at 0x0000025974DEA0A0, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835226} normal block at 0x0000025974DE9E70, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835215} normal block at 0x0000025974DEAC00, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835204} normal block at 0x0000025974DE9E00, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835193} normal block at 0x0000025974DC4B10, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835162} normal block at 0x0000025976BB6680, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835151} normal block at 0x0000025976BCE9F0, 102 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) : {3835148} normal block at 0x0000025974DBDC20, 8 bytes long.
 Data: <  %uY   > 00 00 25 75 59 02 00 00 
{3834544} normal block at 0x0000025976BCE940, 102 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833963} normal block at 0x0000025974DBE170, 8 bytes long.
 Data: <&#176;D&#193;vY   > B0 44 C1 76 59 02 00 00 
..\zip\boinc_zip.cpp(122) : {313} normal block at 0x0000025974DC1120, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{298} normal block at 0x0000025974DB6F30, 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 0x0000025974DC64E0, 16 bytes long.
 Data: < j&#220;tY           > 08 6A DC 74 59 02 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x0000025974DC5E50, 16 bytes long.
 Data: <&#224;i&#220;tY           > E0 69 DC 74 59 02 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x0000025974DBF850, 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 0x0000025974DC5A40, 16 bytes long.
 Data: <&#184;i&#220;tY           > B8 69 DC 74 59 02 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x0000025974DC65D0, 16 bytes long.
 Data: < i&#220;tY           > 90 69 DC 74 59 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x0000025974DC6580, 16 bytes long.
 Data: <hi&#220;tY           > 68 69 DC 74 59 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x0000025974DC5E00, 16 bytes long.
 Data: <@i&#220;tY           > 40 69 DC 74 59 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x0000025974DC49C0, 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 0x0000025974DC5F90, 16 bytes long.
 Data: <H&#233;&#218;tY           > 48 E9 DA 74 59 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x0000025974DBF5B0, 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 0x0000025974DC5770, 16 bytes long.
 Data: < &#233;&#218;tY           > 20 E9 DA 74 59 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x0000025974DC62B0, 16 bytes long.
 Data: <&#248;&#232;&#218;tY           > F8 E8 DA 74 59 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x0000025974DC5900, 16 bytes long.
 Data: <&#208;&#232;&#218;tY           > D0 E8 DA 74 59 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x0000025974DC6490, 16 bytes long.
 Data: <&#168;&#232;&#218;tY           > A8 E8 DA 74 59 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x0000025974DC5B80, 16 bytes long.
 Data: < &#232;&#218;tY           > 80 E8 DA 74 59 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x0000025974DC5EA0, 16 bytes long.
 Data: <X&#232;&#218;tY           > 58 E8 DA 74 59 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x0000025974DBED70, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{279} normal block at 0x0000025974DC6260, 16 bytes long.
 Data: <0&#232;&#218;tY           > 30 E8 DA 74 59 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x0000025974DAE830, 320 bytes long.
 Data: <`b&#220;tY   p&#237;&#219;tY   > 60 62 DC 74 59 02 00 00 70 ED DB 74 59 02 00 00 
{277} normal block at 0x0000025974DC59A0, 16 bytes long.
 Data: < i&#220;tY           > 20 69 DC 74 59 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x0000025974DC5860, 16 bytes long.
 Data: <&#248;h&#220;tY           > F8 68 DC 74 59 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x0000025974DBF550, 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 0x0000025974DC5C20, 16 bytes long.
 Data: <&#208;h&#220;tY           > D0 68 DC 74 59 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x0000025974DBFA30, 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 0x0000025974DC60D0, 16 bytes long.
 Data: < h&#220;tY           > 18 68 DC 74 59 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x0000025974DC58B0, 16 bytes long.
 Data: <&#240;g&#220;tY           > F0 67 DC 74 59 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x0000025974DC59F0, 16 bytes long.
 Data: <&#200;g&#220;tY           > C8 67 DC 74 59 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x0000025974DC6350, 16 bytes long.
 Data: <&#160;g&#220;tY           > A0 67 DC 74 59 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x0000025974DC6030, 16 bytes long.
 Data: <xg&#220;tY           > 78 67 DC 74 59 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x0000025974DC6300, 16 bytes long.
 Data: <Pg&#220;tY           > 50 67 DC 74 59 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x0000025974DC5DB0, 16 bytes long.
 Data: < N&#220;tY           > 90 4E DC 74 59 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x0000025974DC4E90, 40 bytes long.
 Data: <&#176;]&#220;tY    f&#187;vY   > B0 5D DC 74 59 02 00 00 80 66 BB 76 59 02 00 00 
{263} normal block at 0x0000025974DC5720, 16 bytes long.
 Data: <0g&#220;tY           > 30 67 DC 74 59 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x0000025974DC6210, 16 bytes long.
 Data: < g&#220;tY           > 08 67 DC 74 59 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x0000025974DBF430, 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 0x0000025974DC5D10, 16 bytes long.
 Data: <&#224;f&#220;tY           > E0 66 DC 74 59 02 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x0000025974DC66E0, 992 bytes long.
 Data: < ]&#220;tY   0&#244;&#219;tY   > 10 5D DC 74 59 02 00 00 30 F4 DB 74 59 02 00 00 
{95} normal block at 0x0000025974DBF4F0, 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 0x0000025974DBE120, 16 bytes long.
 Data: <pO&#220;tY           > 70 4F DC 74 59 02 00 00 00 00 00 00 00 00 00 00 
{93} normal block at 0x0000025974DC4F70, 40 bytes long.
 Data: < &#225;&#219;tY   &#240;&#244;&#219;tY   > 20 E1 DB 74 59 02 00 00 F0 F4 DB 74 59 02 00 00 
{72} normal block at 0x0000025974DBDB80, 16 bytes long.
 Data: < &#234;&#201;{&#247;           > 80 EA C9 7B F7 7F 00 00 00 00 00 00 00 00 00 00 
{71} normal block at 0x0000025974DBDEF0, 16 bytes long.
 Data: <@&#233;&#201;{&#247;           > 40 E9 C9 7B F7 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x0000025974DBD7C0, 16 bytes long.
 Data: <&#248;W&#198;{&#247;           > F8 57 C6 7B F7 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x0000025974DBD6D0, 16 bytes long.
 Data: <&#216;W&#198;{&#247;           > D8 57 C6 7B F7 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x0000025974DBDCC0, 16 bytes long.
 Data: <P &#198;{&#247;           > 50 04 C6 7B F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x0000025974DBDDB0, 16 bytes long.
 Data: <0 &#198;{&#247;           > 30 04 C6 7B F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x0000025974DBD400, 16 bytes long.
 Data: <&#224; &#198;{&#247;           > E0 02 C6 7B F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x0000025974DBD3B0, 16 bytes long.
 Data: <  &#198;{&#247;           > 10 04 C6 7B F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x0000025974DBDBD0, 16 bytes long.
 Data: <p &#198;{&#247;           > 70 04 C6 7B F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x0000025974DBDF40, 16 bytes long.
 Data: < &#192;&#196;{&#247;           > 18 C0 C4 7B F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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