Task 38646115

Name test_235-GPUGRID_TEST_ATM_1000_20261023-0-1-RND4064_0
Workunit 31591072
Created 23 Oct 2026, 16:25:28 UTC
Sent 23 Oct 2026, 16:51:20 UTC
Report deadline 28 Oct 2026, 16:51:20 UTC
Received 23 Oct 2026, 17:17:48 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 629480
Run time 20 min 30 sec
CPU time 19 min 12 sec
Validate state Valid
Credit 1,000.00
Device peak FLOPS 22,590.50 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 741.71 MB
Peak swap size 9.91 GB
Peak disk usage 2.97 GB

Stderr output

<core_client_version>8.2.8</core_client_version>
<![CDATA[
<stderr_txt>
11:57:58 (17676): wrapper (7.9.26016): starting
11:57:58 (17676): 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
11:57:59 (17676): Library/usr/bin/tar.exe exited; CPU time 0.015625
11:57:59 (17676): 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\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 'C:\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
12:17:30 (17676): C:/Windows/system32/cmd.exe exited; CPU time 1152.265625
12:17:30 (17676): 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: 23162325 bytes.
Dumping objects ->
{3835519} normal block at 0x000002B1BDBE8C10, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835508} normal block at 0x000002B1BDBE8A50, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835497} normal block at 0x000002B1BDBE9930, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835486} normal block at 0x000002B1BBDE4C20, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835475} normal block at 0x000002B1BBDE4BB0, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835444} normal block at 0x000002B1BDBF7580, 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) : {3835431} normal block at 0x000002B1BBDDF1F0, 8 bytes long.
 Data: <  3&#188;&#177;   > 00 00 33 BC B1 02 00 00 
{3833959} normal block at 0x000002B1BBDDEB10, 8 bytes long.
 Data: <&#160;Y&#197;&#189;&#177;   > A0 59 C5 BD B1 02 00 00 
..\zip\boinc_zip.cpp(122) : {311} normal block at 0x000002B1BBDE07C0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x000002B1BBDD6870, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{295} normal block at 0x000002B1BBDE61F0, 16 bytes long.
 Data: <&#216;e&#222;&#187;&#177;           > D8 65 DE BB B1 02 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x000002B1BBDE5340, 16 bytes long.
 Data: <&#176;e&#222;&#187;&#177;           > B0 65 DE BB B1 02 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x000002B1BBDDF810, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{292} normal block at 0x000002B1BBDE61A0, 16 bytes long.
 Data: < e&#222;&#187;&#177;           > 88 65 DE BB B1 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x000002B1BBDE5CF0, 16 bytes long.
 Data: <`e&#222;&#187;&#177;           > 60 65 DE BB B1 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x000002B1BBDE5660, 16 bytes long.
 Data: <8e&#222;&#187;&#177;           > 38 65 DE BB B1 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x000002B1BBDE60B0, 16 bytes long.
 Data: < e&#222;&#187;&#177;           > 10 65 DE BB B1 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x000002B1BBDE4D70, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{287} normal block at 0x000002B1BBDE5610, 16 bytes long.
 Data: <&#232;&#181;&#220;&#187;&#177;           > E8 B5 DC BB B1 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x000002B1BBDDF9F0, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{285} normal block at 0x000002B1BBDE55C0, 16 bytes long.
 Data: <&#192;&#181;&#220;&#187;&#177;           > C0 B5 DC BB B1 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000002B1BBDE5B60, 16 bytes long.
 Data: < &#181;&#220;&#187;&#177;           > 98 B5 DC BB B1 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000002B1BBDE5DE0, 16 bytes long.
 Data: <p&#181;&#220;&#187;&#177;           > 70 B5 DC BB B1 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000002B1BBDE6240, 16 bytes long.
 Data: <H&#181;&#220;&#187;&#177;           > 48 B5 DC BB B1 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000002B1BBDE5980, 16 bytes long.
 Data: < &#181;&#220;&#187;&#177;           > 20 B5 DC BB B1 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000002B1BBDE52F0, 16 bytes long.
 Data: <&#248;&#180;&#220;&#187;&#177;           > F8 B4 DC BB B1 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x000002B1BBDE0050, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{277} normal block at 0x000002B1BBDE6060, 16 bytes long.
 Data: <&#208;&#180;&#220;&#187;&#177;           > D0 B4 DC BB B1 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x000002B1BBDCB4D0, 320 bytes long.
 Data: <``&#222;&#187;&#177;   P &#222;&#187;&#177;   > 60 60 DE BB B1 02 00 00 50 00 DE BB B1 02 00 00 
{275} normal block at 0x000002B1BBDE6150, 16 bytes long.
 Data: <&#240;d&#222;&#187;&#177;           > F0 64 DE BB B1 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x000002B1BBDE5FC0, 16 bytes long.
 Data: <&#200;d&#222;&#187;&#177;           > C8 64 DE BB B1 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x000002B1BBDDFBD0, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{272} normal block at 0x000002B1BBDE56B0, 16 bytes long.
 Data: <&#160;d&#222;&#187;&#177;           > A0 64 DE BB B1 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x000002B1BBDDFF90, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{270} normal block at 0x000002B1BBDE5930, 16 bytes long.
 Data: <&#232;c&#222;&#187;&#177;           > E8 63 DE BB B1 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000002B1BBDE5F70, 16 bytes long.
 Data: <&#192;c&#222;&#187;&#177;           > C0 63 DE BB B1 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000002B1BBDE54D0, 16 bytes long.
 Data: < c&#222;&#187;&#177;           > 98 63 DE BB B1 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000002B1BBDE57F0, 16 bytes long.
 Data: <pc&#222;&#187;&#177;           > 70 63 DE BB B1 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000002B1BBDE6010, 16 bytes long.
 Data: <Hc&#222;&#187;&#177;           > 48 63 DE BB B1 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x000002B1BBDE5570, 16 bytes long.
 Data: < c&#222;&#187;&#177;           > 20 63 DE BB B1 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x000002B1BBDE5520, 16 bytes long.
 Data: <&#208;J&#222;&#187;&#177;           > D0 4A DE BB B1 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x000002B1BBDE4AD0, 40 bytes long.
 Data: < U&#222;&#187;&#177;    u&#191;&#189;&#177;   > 20 55 DE BB B1 02 00 00 80 75 BF BD B1 02 00 00 
{261} normal block at 0x000002B1BBDE53E0, 16 bytes long.
 Data: < c&#222;&#187;&#177;           > 00 63 DE BB B1 02 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x000002B1BBDE5430, 16 bytes long.
 Data: <&#216;b&#222;&#187;&#177;           > D8 62 DE BB B1 02 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x000002B1BBDDF8D0, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{258} normal block at 0x000002B1BBDE6100, 16 bytes long.
 Data: <&#176;b&#222;&#187;&#177;           > B0 62 DE BB B1 02 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x000002B1BBDE62B0, 992 bytes long.
 Data: < a&#222;&#187;&#177;   &#208;&#248;&#221;&#187;&#177;   > 00 61 DE BB B1 02 00 00 D0 F8 DD BB B1 02 00 00 
{93} normal block at 0x000002B1BBDDFC90, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{92} normal block at 0x000002B1BBDDECF0, 16 bytes long.
 Data: < M&#222;&#187;&#177;           > 00 4D DE BB B1 02 00 00 00 00 00 00 00 00 00 00 
{91} normal block at 0x000002B1BBDE4D00, 40 bytes long.
 Data: <&#240;&#236;&#221;&#187;&#177;    &#252;&#221;&#187;&#177;   > F0 EC DD BB B1 02 00 00 90 FC DD BB B1 02 00 00 
{70} normal block at 0x000002B1BBDDEFC0, 16 bytes long.
 Data: < &#234; &#160;&#247;           > 80 EA 16 A0 F7 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x000002B1BBDDF010, 16 bytes long.
 Data: <@&#233; &#160;&#247;           > 40 E9 16 A0 F7 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x000002B1BBDDE930, 16 bytes long.
 Data: <&#248;W &#160;&#247;           > F8 57 13 A0 F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x000002B1BBDDEA70, 16 bytes long.
 Data: <&#216;W &#160;&#247;           > D8 57 13 A0 F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000002B1BBDDECA0, 16 bytes long.
 Data: <P  &#160;&#247;           > 50 04 13 A0 F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000002B1BBDDF600, 16 bytes long.
 Data: <0  &#160;&#247;           > 30 04 13 A0 F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x000002B1BBDDE9D0, 16 bytes long.
 Data: <&#224;  &#160;&#247;           > E0 02 13 A0 F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x000002B1BBDDF6F0, 16 bytes long.
 Data: <   &#160;&#247;           > 10 04 13 A0 F7 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x000002B1BBDDEB60, 16 bytes long.
 Data: <p  &#160;&#247;           > 70 04 13 A0 F7 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x000002B1BBDDE980, 16 bytes long.
 Data: < &#192; &#160;&#247;           > 18 C0 11 A0 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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