Task 38682076

Name test_173-GPUGRID_TEST_ATM_40STEP_20261023-27-40-RND5816_0
Workunit 31623711
Created 27 Oct 2026, 6:28:40 UTC
Sent 27 Oct 2026, 6:28:41 UTC
Report deadline 1 Nov 2026, 6:28:41 UTC
Received 27 Oct 2026, 6:54:09 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 650591
Run time 19 min 15 sec
CPU time 18 min 7 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 744.76 MB
Peak swap size 12.96 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
07:35:05 (14868): wrapper (7.9.26016): starting
07:35:05 (14868): 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
07:35:06 (14868): Library/usr/bin/tar.exe exited; CPU time 0.000000
07:35:06 (14868): 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 'G:\BOINC\DATA\slots\16\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 'G:\BOINC\DATA\slots\16\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
07:53:28 (14868): C:/Windows/system32/cmd.exe exited; CPU time 1087.250000
07:53:28 (14868): called boinc_finish(0)
0 bytes in 0 Free Blocks.
176 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: 16913043 bytes.
Dumping objects ->
{3835187} normal block at 0x00000222180A6350, 48 bytes long.
 Data: <PATH=G:\BOINC\DA> 50 41 54 48 3D 47 3A 5C 42 4F 49 4E 43 5C 44 41 
{3835176} normal block at 0x0000022219FA84A0, 32 bytes long.
 Data: <HOME=G:\BOINC\DA> 48 4F 4D 45 3D 47 3A 5C 42 4F 49 4E 43 5C 44 41 
{3835165} normal block at 0x0000022219FA7C60, 32 bytes long.
 Data: <TMP=G:\BOINC\DAT> 54 4D 50 3D 47 3A 5C 42 4F 49 4E 43 5C 44 41 54 
{3835154} normal block at 0x0000022219FA8020, 32 bytes long.
 Data: <TEMP=G:\BOINC\DA> 54 45 4D 50 3D 47 3A 5C 42 4F 49 4E 43 5C 44 41 
{3835143} normal block at 0x0000022219FA85C0, 32 bytes long.
 Data: <TMPDIR=G:\BOINC\> 54 4D 50 44 49 52 3D 47 3A 5C 42 4F 49 4E 43 5C 
{3835112} normal block at 0x00000222180A5DA0, 48 bytes long.
 Data: <PATH=G:\BOINC\DA> 50 41 54 48 3D 47 3A 5C 42 4F 49 4E 43 5C 44 41 
..\api\boinc_api.cpp(309) : {3835099} normal block at 0x000002221809E600, 8 bytes long.
 Data: <  x "   > 00 00 78 18 22 02 00 00 
{3833951} normal block at 0x000002221809F2D0, 8 bytes long.
 Data: <&#224;A  "   > E0 41 0A 18 22 02 00 00 
..\zip\boinc_zip.cpp(122) : {307} normal block at 0x00000222180A1040, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x0000022218095E90, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{291} normal block at 0x00000222180A5360, 16 bytes long.
 Data: < [  "           > 08 5B 0A 18 22 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x00000222180A53B0, 16 bytes long.
 Data: <&#224;Z  "           > E0 5A 0A 18 22 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x000002221809CEE0, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{288} normal block at 0x00000222180A5040, 16 bytes long.
 Data: <&#184;Z  "           > B8 5A 0A 18 22 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x00000222180A5310, 16 bytes long.
 Data: < Z  "           > 90 5A 0A 18 22 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x00000222180A5130, 16 bytes long.
 Data: <hZ  "           > 68 5A 0A 18 22 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x00000222180A49B0, 16 bytes long.
 Data: <@Z  "           > 40 5A 0A 18 22 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x00000222180A6120, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{283} normal block at 0x00000222180A4960, 16 bytes long.
 Data: < &#228;	 "           > 98 E4 09 18 22 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000002221809CE80, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{281} normal block at 0x00000222180A48C0, 16 bytes long.
 Data: <p&#228;	 "           > 70 E4 09 18 22 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x00000222180A4EB0, 16 bytes long.
 Data: <H&#228;	 "           > 48 E4 09 18 22 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x00000222180A4F00, 16 bytes long.
 Data: < &#228;	 "           > 20 E4 09 18 22 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x00000222180A55E0, 16 bytes long.
 Data: <&#248;&#227;	 "           > F8 E3 09 18 22 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x00000222180A5590, 16 bytes long.
 Data: <&#208;&#227;	 "           > D0 E3 09 18 22 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x00000222180A5400, 16 bytes long.
 Data: <&#168;&#227;	 "           > A8 E3 09 18 22 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x000002221809D3C0, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{273} normal block at 0x00000222180A5180, 16 bytes long.
 Data: < &#227;	 "           > 80 E3 09 18 22 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000002221809E380, 320 bytes long.
 Data: < Q  "   &#192;&#211;	 "   > 80 51 0A 18 22 02 00 00 C0 D3 09 18 22 02 00 00 
{271} normal block at 0x00000222180A5680, 16 bytes long.
 Data: < Z  "           > 20 5A 0A 18 22 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x00000222180A4A50, 16 bytes long.
 Data: <&#248;Y  "           > F8 59 0A 18 22 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000002221809D2A0, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{268} normal block at 0x00000222180A4E60, 16 bytes long.
 Data: <&#208;Y  "           > D0 59 0A 18 22 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000002221809CD00, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{266} normal block at 0x00000222180A54F0, 16 bytes long.
 Data: < Y  "           > 18 59 0A 18 22 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x00000222180A4910, 16 bytes long.
 Data: <&#240;X  "           > F0 58 0A 18 22 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x00000222180A4E10, 16 bytes long.
 Data: <&#200;X  "           > C8 58 0A 18 22 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x00000222180A5540, 16 bytes long.
 Data: <&#160;X  "           > A0 58 0A 18 22 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x00000222180A4FF0, 16 bytes long.
 Data: <xX  "           > 78 58 0A 18 22 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x00000222180A4820, 16 bytes long.
 Data: <PX  "           > 50 58 0A 18 22 02 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x00000222180A4870, 16 bytes long.
 Data: < &#247;  "           > 20 F7 08 18 22 02 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x000002221808F720, 40 bytes long.
 Data: <pH  "   &#160;]  "   > 70 48 0A 18 22 02 00 00 A0 5D 0A 18 22 02 00 00 
{257} normal block at 0x00000222180A50E0, 16 bytes long.
 Data: <0X  "           > 30 58 0A 18 22 02 00 00 00 00 00 00 00 00 00 00 
{256} normal block at 0x00000222180A4AF0, 16 bytes long.
 Data: < X  "           > 08 58 0A 18 22 02 00 00 00 00 00 00 00 00 00 00 
{255} normal block at 0x000002221809CC40, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{254} normal block at 0x00000222180A52C0, 16 bytes long.
 Data: <&#224;W  "           > E0 57 0A 18 22 02 00 00 00 00 00 00 00 00 00 00 
{253} normal block at 0x00000222180A57E0, 992 bytes long.
 Data: <&#192;R  "   @&#204;	 "   > C0 52 0A 18 22 02 00 00 40 CC 09 18 22 02 00 00 
{89} normal block at 0x000002221809CB80, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{88} normal block at 0x000002221809F3C0, 16 bytes long.
 Data: <&#192;&#202;  "           > C0 CA 08 18 22 02 00 00 00 00 00 00 00 00 00 00 
{87} normal block at 0x000002221808CAC0, 40 bytes long.
 Data: <&#192;&#243;	 "    &#203;	 "   > C0 F3 09 18 22 02 00 00 80 CB 09 18 22 02 00 00 
{66} normal block at 0x000002221809F050, 16 bytes long.
 Data: < &#234;O &#246;           > 80 EA 4F 1F F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000002221809EC40, 16 bytes long.
 Data: <@&#233;O &#246;           > 40 E9 4F 1F F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x000002221809E830, 16 bytes long.
 Data: <&#248;WL &#246;           > F8 57 4C 1F F6 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x000002221809E6A0, 16 bytes long.
 Data: <&#216;WL &#246;           > D8 57 4C 1F F6 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x000002221809EEC0, 16 bytes long.
 Data: <P L &#246;           > 50 04 4C 1F F6 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x000002221809E650, 16 bytes long.
 Data: <0 L &#246;           > 30 04 4C 1F F6 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x000002221809E740, 16 bytes long.
 Data: <&#224; L &#246;           > E0 02 4C 1F F6 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x000002221809F370, 16 bytes long.
 Data: <  L &#246;           > 10 04 4C 1F F6 7F 00 00 00 00 00 00 00 00 00 00 
{58} normal block at 0x000002221809ED80, 16 bytes long.
 Data: <p L &#246;           > 70 04 4C 1F F6 7F 00 00 00 00 00 00 00 00 00 00 
{57} normal block at 0x000002221809F4B0, 16 bytes long.
 Data: < &#192;J &#246;           > 18 C0 4A 1F F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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