Task 38676271

Name test_416-GPUGRID_TEST_ATM_40STEP_20261023-9-40-RND8019_0
Workunit 31618199
Created 26 Oct 2026, 10:47:50 UTC
Sent 26 Oct 2026, 10:47:59 UTC
Report deadline 31 Oct 2026, 10:47:59 UTC
Received 26 Oct 2026, 12:34:34 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 654845
Run time 26 min 1 sec
CPU time 20 min 1 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 32,075.31 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 723.96 MB
Peak swap size 1.67 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
14:08:18 (10168): wrapper (7.9.26016): starting
14:08:18 (10168): 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
14:08:19 (10168): Library/usr/bin/tar.exe exited; CPU time 0.000000
14:08:19 (10168): 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\1\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\1\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
14:32:25 (10168): C:/Windows/system32/cmd.exe exited; CPU time 1201.921875
14:32:25 (10168): called boinc_finish(0)
0 bytes in 0 Free Blocks.
576 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: 17800889 bytes.
Dumping objects ->
{3835468} normal block at 0x0000020D34B4E680, 48 bytes long.
 Data: <PATH=D:\ProgramD> 50 41 54 48 3D 44 3A 5C 50 72 6F 67 72 61 6D 44 
{3835457} normal block at 0x0000020D34B4EAE0, 48 bytes long.
 Data: <HOME=D:\ProgramD> 48 4F 4D 45 3D 44 3A 5C 50 72 6F 67 72 61 6D 44 
{3835446} normal block at 0x0000020D34B4EC30, 48 bytes long.
 Data: <TMP=D:\ProgramDa> 54 4D 50 3D 44 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835435} normal block at 0x0000020D32FCCB70, 48 bytes long.
 Data: <TEMP=D:\ProgramD> 54 45 4D 50 3D 44 3A 5C 50 72 6F 67 72 61 6D 44 
{3835424} normal block at 0x0000020D32FCCA90, 48 bytes long.
 Data: <TMPDIR=D:\Progra> 54 4D 50 44 49 52 3D 44 3A 5C 50 72 6F 67 72 61 
{3835393} normal block at 0x0000020D34B93C20, 64 bytes long.
 Data: <PATH=D:\ProgramD> 50 41 54 48 3D 44 3A 5C 50 72 6F 67 72 61 6D 44 
{3835382} normal block at 0x0000020D34BF25D0, 160 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) : {3835379} normal block at 0x0000020D32FC7A10, 8 bytes long.
 Data: <  &#164;4    > 00 00 A4 34 0D 02 00 00 
{3834658} normal block at 0x0000020D34BF24F0, 160 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833947} normal block at 0x0000020D32FC8410, 8 bytes long.
 Data: <&#176;9&#191;4    > B0 39 BF 34 0D 02 00 00 
..\zip\boinc_zip.cpp(122) : {305} normal block at 0x0000020D32FD1730, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x0000020D32FCFEF0, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{289} normal block at 0x0000020D32FD35D0, 16 bytes long.
 Data: <xI&#253;2            > 78 49 FD 32 0D 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x0000020D32FD2A40, 16 bytes long.
 Data: <PI&#253;2            > 50 49 FD 32 0D 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x0000020D32FCE850, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{286} normal block at 0x0000020D32FD29F0, 16 bytes long.
 Data: <(I&#253;2            > 28 49 FD 32 0D 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x0000020D32FD34E0, 16 bytes long.
 Data: < I&#253;2            > 00 49 FD 32 0D 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x0000020D32FD2FE0, 16 bytes long.
 Data: <&#216;H&#253;2            > D8 48 FD 32 0D 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x0000020D32FD30D0, 16 bytes long.
 Data: <&#176;H&#253;2            > B0 48 FD 32 0D 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x0000020D32FCCC50, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{281} normal block at 0x0000020D32FD3490, 16 bytes long.
 Data: <&#168;&#217;&#252;2            > A8 D9 FC 32 0D 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x0000020D32FCE4F0, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{279} normal block at 0x0000020D32FD3300, 16 bytes long.
 Data: < &#217;&#252;2            > 80 D9 FC 32 0D 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x0000020D32FD28B0, 16 bytes long.
 Data: <X&#217;&#252;2            > 58 D9 FC 32 0D 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x0000020D32FD2D10, 16 bytes long.
 Data: <0&#217;&#252;2            > 30 D9 FC 32 0D 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x0000020D32FD2CC0, 16 bytes long.
 Data: < &#217;&#252;2            > 08 D9 FC 32 0D 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x0000020D32FD2A90, 16 bytes long.
 Data: <&#224;&#216;&#252;2            > E0 D8 FC 32 0D 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x0000020D32FD33F0, 16 bytes long.
 Data: <&#184;&#216;&#252;2            > B8 D8 FC 32 0D 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x0000020D32FCE550, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{271} normal block at 0x0000020D32FD2810, 16 bytes long.
 Data: < &#216;&#252;2            > 90 D8 FC 32 0D 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x0000020D32FCD890, 320 bytes long.
 Data: < (&#253;2    P&#229;&#252;2    > 10 28 FD 32 0D 02 00 00 50 E5 FC 32 0D 02 00 00 
{269} normal block at 0x0000020D32FD2C70, 16 bytes long.
 Data: < H&#253;2            > 90 48 FD 32 0D 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x0000020D32FD2C20, 16 bytes long.
 Data: <hH&#253;2            > 68 48 FD 32 0D 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x0000020D32FCE430, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{266} normal block at 0x0000020D32FD2770, 16 bytes long.
 Data: <@H&#253;2            > 40 48 FD 32 0D 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x0000020D32FCDB90, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{264} normal block at 0x0000020D32FD2950, 16 bytes long.
 Data: < G&#253;2            > 88 47 FD 32 0D 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x0000020D32FD3350, 16 bytes long.
 Data: <`G&#253;2            > 60 47 FD 32 0D 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x0000020D32FD2E50, 16 bytes long.
 Data: <8G&#253;2            > 38 47 FD 32 0D 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x0000020D32FD3260, 16 bytes long.
 Data: < G&#253;2            > 10 47 FD 32 0D 02 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x0000020D32FD2680, 16 bytes long.
 Data: <&#232;F&#253;2            > E8 46 FD 32 0D 02 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x0000020D32FD31C0, 16 bytes long.
 Data: <&#192;F&#253;2            > C0 46 FD 32 0D 02 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x0000020D32FD2BD0, 16 bytes long.
 Data: <`&#200;&#252;2            > 60 C8 FC 32 0D 02 00 00 00 00 00 00 00 00 00 00 
{256} normal block at 0x0000020D32FCC860, 40 bytes long.
 Data: <&#208;+&#253;2     <&#185;4    > D0 2B FD 32 0D 02 00 00 20 3C B9 34 0D 02 00 00 
{255} normal block at 0x0000020D32FD2B30, 16 bytes long.
 Data: <&#160;F&#253;2            > A0 46 FD 32 0D 02 00 00 00 00 00 00 00 00 00 00 
{254} normal block at 0x0000020D32FD3530, 16 bytes long.
 Data: <xF&#253;2            > 78 46 FD 32 0D 02 00 00 00 00 00 00 00 00 00 00 
{253} normal block at 0x0000020D32FCDBF0, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{252} normal block at 0x0000020D32FD3170, 16 bytes long.
 Data: <PF&#253;2            > 50 46 FD 32 0D 02 00 00 00 00 00 00 00 00 00 00 
{251} normal block at 0x0000020D32FD4650, 992 bytes long.
 Data: <p1&#253;2    &#240;&#219;&#252;2    > 70 31 FD 32 0D 02 00 00 F0 DB FC 32 0D 02 00 00 
{87} normal block at 0x0000020D32FCDCB0, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{86} normal block at 0x0000020D32FC7A60, 16 bytes long.
 Data: < &#206;&#252;2            > 10 CE FC 32 0D 02 00 00 00 00 00 00 00 00 00 00 
{85} normal block at 0x0000020D32FCCE10, 40 bytes long.
 Data: <`z&#252;2    &#176;&#220;&#252;2    > 60 7A FC 32 0D 02 00 00 B0 DC FC 32 0D 02 00 00 
{64} normal block at 0x0000020D32FC8190, 16 bytes long.
 Data: < &#234;3&#174;&#247;           > 80 EA 33 AE F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x0000020D32FC79C0, 16 bytes long.
 Data: <@&#233;3&#174;&#247;           > 40 E9 33 AE F7 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x0000020D32FC83C0, 16 bytes long.
 Data: <&#248;W0&#174;&#247;           > F8 57 30 AE F7 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x0000020D32FC7B50, 16 bytes long.
 Data: <&#216;W0&#174;&#247;           > D8 57 30 AE F7 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x0000020D32FC7EC0, 16 bytes long.
 Data: <P 0&#174;&#247;           > 50 04 30 AE F7 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x0000020D32FC8910, 16 bytes long.
 Data: <0 0&#174;&#247;           > 30 04 30 AE F7 7F 00 00 00 00 00 00 00 00 00 00 
{58} normal block at 0x0000020D32FC88C0, 16 bytes long.
 Data: <&#224; 0&#174;&#247;           > E0 02 30 AE F7 7F 00 00 00 00 00 00 00 00 00 00 
{57} normal block at 0x0000020D32FC8870, 16 bytes long.
 Data: <  0&#174;&#247;           > 10 04 30 AE F7 7F 00 00 00 00 00 00 00 00 00 00 
{56} normal block at 0x0000020D32FC8780, 16 bytes long.
 Data: <p 0&#174;&#247;           > 70 04 30 AE F7 7F 00 00 00 00 00 00 00 00 00 00 
{55} normal block at 0x0000020D32FC8370, 16 bytes long.
 Data: < &#192;.&#174;&#247;           > 18 C0 2E AE F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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