Task 38687018

Name test_295-GPUGRID_TEST_ATM_40STEP_20261023-39-40-RND6850_0
Workunit 31628424
Created 28 Oct 2026, 5:34:13 UTC
Sent 28 Oct 2026, 5:34:20 UTC
Report deadline 2 Nov 2026, 5:34:20 UTC
Received 28 Oct 2026, 6:22:07 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 652183
Run time 23 min 45 sec
CPU time 20 min 7 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 29,325.87 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 730.86 MB
Peak swap size 11.44 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
23:59:17 (20112): wrapper (7.9.26016): starting
23:59:17 (20112): 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
23:59:18 (20112): Library/usr/bin/tar.exe exited; CPU time 0.000000
23:59:18 (20112): 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\14\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\14\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
00:22:13 (20112): C:/Windows/system32/cmd.exe exited; CPU time 1207.484375
00:22:13 (20112): 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: 28527401 bytes.
Dumping objects ->
{3835259} normal block at 0x000001F2AB89D580, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835248} normal block at 0x000001F2A9A64660, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835237} normal block at 0x000001F2A9A64C80, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835226} normal block at 0x000001F2A9A64740, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835215} normal block at 0x000001F2A9A64C10, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835184} normal block at 0x000001F2AB8EAF10, 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) : {3835171} normal block at 0x000001F2A9A5F010, 8 bytes long.
 Data: <   &#170;&#242;   > 00 00 10 AA F2 01 00 00 
{3833961} normal block at 0x000001F2A9A5EAC0, 8 bytes long.
 Data: <`&#235;&#179;&#169;&#242;   > 60 EB B3 A9 F2 01 00 00 
..\zip\boinc_zip.cpp(122) : {312} normal block at 0x000001F2A9A610D0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x000001F2A9A564C0, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{296} normal block at 0x000001F2A9A665E0, 16 bytes long.
 Data: < V&#166;&#169;&#242;           > 88 56 A6 A9 F2 01 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x000001F2A9A65B90, 16 bytes long.
 Data: <`V&#166;&#169;&#242;           > 60 56 A6 A9 F2 01 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x000001F2A9A5FDE0, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{293} normal block at 0x000001F2A9A661D0, 16 bytes long.
 Data: <8V&#166;&#169;&#242;           > 38 56 A6 A9 F2 01 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x000001F2A9A65910, 16 bytes long.
 Data: < V&#166;&#169;&#242;           > 10 56 A6 A9 F2 01 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x000001F2A9A65CD0, 16 bytes long.
 Data: <&#232;U&#166;&#169;&#242;           > E8 55 A6 A9 F2 01 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x000001F2A9A66360, 16 bytes long.
 Data: <&#192;U&#166;&#169;&#242;           > C0 55 A6 A9 F2 01 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x000001F2A9A64900, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{288} normal block at 0x000001F2A9A65A50, 16 bytes long.
 Data: <&#232; &#165;&#169;&#242;           > E8 8F A5 A9 F2 01 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x000001F2A9A60560, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{286} normal block at 0x000001F2A9A65F50, 16 bytes long.
 Data: <&#192; &#165;&#169;&#242;           > C0 8F A5 A9 F2 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000001F2A9A66590, 16 bytes long.
 Data: <  &#165;&#169;&#242;           > 98 8F A5 A9 F2 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000001F2A9A65DC0, 16 bytes long.
 Data: <p &#165;&#169;&#242;           > 70 8F A5 A9 F2 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000001F2A9A65A00, 16 bytes long.
 Data: <H &#165;&#169;&#242;           > 48 8F A5 A9 F2 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000001F2A9A658C0, 16 bytes long.
 Data: <  &#165;&#169;&#242;           > 20 8F A5 A9 F2 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000001F2A9A66450, 16 bytes long.
 Data: <&#248;&#142;&#165;&#169;&#242;           > F8 8E A5 A9 F2 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000001F2A9A60080, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{278} normal block at 0x000001F2A9A66310, 16 bytes long.
 Data: <&#208;&#142;&#165;&#169;&#242;           > D0 8E A5 A9 F2 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000001F2A9A58ED0, 320 bytes long.
 Data: < c&#166;&#169;&#242;     &#166;&#169;&#242;   > 10 63 A6 A9 F2 01 00 00 80 00 A6 A9 F2 01 00 00 
{276} normal block at 0x000001F2A9A66540, 16 bytes long.
 Data: <&#160;U&#166;&#169;&#242;           > A0 55 A6 A9 F2 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000001F2A9A664F0, 16 bytes long.
 Data: <xU&#166;&#169;&#242;           > 78 55 A6 A9 F2 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x000001F2A9A5FA20, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{273} normal block at 0x000001F2A9A659B0, 16 bytes long.
 Data: <PU&#166;&#169;&#242;           > 50 55 A6 A9 F2 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000001F2A9A5FC00, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{271} normal block at 0x000001F2A9A65870, 16 bytes long.
 Data: < T&#166;&#169;&#242;           > 98 54 A6 A9 F2 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x000001F2A9A65960, 16 bytes long.
 Data: <pT&#166;&#169;&#242;           > 70 54 A6 A9 F2 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000001F2A9A662C0, 16 bytes long.
 Data: <HT&#166;&#169;&#242;           > 48 54 A6 A9 F2 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000001F2A9A657D0, 16 bytes long.
 Data: < T&#166;&#169;&#242;           > 20 54 A6 A9 F2 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000001F2A9A664A0, 16 bytes long.
 Data: <&#248;S&#166;&#169;&#242;           > F8 53 A6 A9 F2 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000001F2A9A5E7F0, 16 bytes long.
 Data: <&#208;S&#166;&#169;&#242;           > D0 53 A6 A9 F2 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000001F2A9A5E7A0, 16 bytes long.
 Data: <&#176;G&#166;&#169;&#242;           > B0 47 A6 A9 F2 01 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x000001F2A9A647B0, 40 bytes long.
 Data: <&#160;&#231;&#165;&#169;&#242;    &#175;&#142;&#171;&#242;   > A0 E7 A5 A9 F2 01 00 00 10 AF 8E AB F2 01 00 00 
{262} normal block at 0x000001F2A9A5E750, 16 bytes long.
 Data: <&#176;S&#166;&#169;&#242;           > B0 53 A6 A9 F2 01 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x000001F2A9A5F600, 16 bytes long.
 Data: < S&#166;&#169;&#242;           > 88 53 A6 A9 F2 01 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x000001F2A9A605C0, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{259} normal block at 0x000001F2A9A5F560, 16 bytes long.
 Data: <`S&#166;&#169;&#242;           > 60 53 A6 A9 F2 01 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x000001F2A9A65360, 992 bytes long.
 Data: <`&#245;&#165;&#169;&#242;   &#192; &#166;&#169;&#242;   > 60 F5 A5 A9 F2 01 00 00 C0 05 A6 A9 F2 01 00 00 
{94} normal block at 0x000001F2A9A5FAE0, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{93} normal block at 0x000001F2A9A5F470, 16 bytes long.
 Data: <&#176;&#238;&#164;&#169;&#242;           > B0 EE A4 A9 F2 01 00 00 00 00 00 00 00 00 00 00 
{92} normal block at 0x000001F2A9A4EEB0, 40 bytes long.
 Data: <p&#244;&#165;&#169;&#242;   &#224;&#250;&#165;&#169;&#242;   > 70 F4 A5 A9 F2 01 00 00 E0 FA A5 A9 F2 01 00 00 
{71} normal block at 0x000001F2A9A5E6B0, 16 bytes long.
 Data: < &#234;'s&#247;           > 80 EA 27 73 F7 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x000001F2A9A5F150, 16 bytes long.
 Data: <@&#233;'s&#247;           > 40 E9 27 73 F7 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x000001F2A9A5EC50, 16 bytes long.
 Data: <&#248;W$s&#247;           > F8 57 24 73 F7 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x000001F2A9A5EBB0, 16 bytes long.
 Data: <&#216;W$s&#247;           > D8 57 24 73 F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x000001F2A9A5F240, 16 bytes long.
 Data: <P $s&#247;           > 50 04 24 73 F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000001F2A9A5E9D0, 16 bytes long.
 Data: <0 $s&#247;           > 30 04 24 73 F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000001F2A9A5EA70, 16 bytes long.
 Data: <&#224; $s&#247;           > E0 02 24 73 F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x000001F2A9A5EE80, 16 bytes long.
 Data: <  $s&#247;           > 10 04 24 73 F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x000001F2A9A5F2E0, 16 bytes long.
 Data: <p $s&#247;           > 70 04 24 73 F7 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x000001F2A9A5EA20, 16 bytes long.
 Data: < &#192;"s&#247;           > 18 C0 22 73 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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