Task 38699134

Name test_951-GPUGRID_TEST_ATM_40STEP_20261023-32-40-RND0708_0
Workunit 31639565
Created 3 Nov 2026, 15:50:57 UTC
Sent 3 Nov 2026, 15:51:02 UTC
Report deadline 8 Nov 2026, 15:51:02 UTC
Received 3 Nov 2026, 18:50:04 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 655048
Run time 1 hours 14 min 44 sec
CPU time 1 hours 9 min 43 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 6,878.75 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 654.02 MB
Peak swap size 2.31 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
18:36:17 (6540): wrapper (7.9.26016): starting
18:36:17 (6540): 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
18:36:19 (6540): Library/usr/bin/tar.exe exited; CPU time 0.000000
18:36:19 (6540): 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
19:49:15 (6540): C:/Windows/system32/cmd.exe exited; CPU time 4183.078125
19:49:15 (6540): 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: 49350307 bytes.
Dumping objects ->
{3835183} normal block at 0x00000240973D6850, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835172} normal block at 0x00000240973D63F0, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835161} normal block at 0x00000240973D6380, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835150} normal block at 0x00000240973D6AF0, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835139} normal block at 0x00000240973D69A0, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835108} normal block at 0x0000024098EF3750, 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) : {3835095} normal block at 0x00000240973A5BF0, 8 bytes long.
 Data: <  8&#151;@   > 00 00 38 97 40 02 00 00 
{3833951} normal block at 0x00000240973A60F0, 8 bytes long.
 Data: <P&#172;=&#151;@   > 50 AC 3D 97 40 02 00 00 
..\zip\boinc_zip.cpp(122) : {307} normal block at 0x00000240973B0C60, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x00000240973B1BA0, 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 0x00000240973B2920, 16 bytes long.
 Data: <81;&#151;@           > 38 31 3B 97 40 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x00000240973B1DE0, 16 bytes long.
 Data: < 1;&#151;@           > 10 31 3B 97 40 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x00000240973ABE20, 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 0x00000240973B2B00, 16 bytes long.
 Data: <&#232;0;&#151;@           > E8 30 3B 97 40 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x00000240973B28D0, 16 bytes long.
 Data: <&#192;0;&#151;@           > C0 30 3B 97 40 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x00000240973B2880, 16 bytes long.
 Data: < 0;&#151;@           > 98 30 3B 97 40 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x00000240973B1D90, 16 bytes long.
 Data: <p0;&#151;@           > 70 30 3B 97 40 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x00000240973AA760, 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 0x00000240973B2790, 16 bytes long.
 Data: <8 ;&#151;@           > 38 1B 3B 97 40 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x00000240973AB880, 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 0x00000240973B2830, 16 bytes long.
 Data: <  ;&#151;@           > 10 1B 3B 97 40 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x00000240973B1D40, 16 bytes long.
 Data: <&#232; ;&#151;@           > E8 1A 3B 97 40 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x00000240973B20B0, 16 bytes long.
 Data: <&#192; ;&#151;@           > C0 1A 3B 97 40 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x00000240973B2060, 16 bytes long.
 Data: <  ;&#151;@           > 98 1A 3B 97 40 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x00000240973B2740, 16 bytes long.
 Data: <p ;&#151;@           > 70 1A 3B 97 40 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x00000240973B2AB0, 16 bytes long.
 Data: <H ;&#151;@           > 48 1A 3B 97 40 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x00000240973ABCA0, 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 0x00000240973B2A60, 16 bytes long.
 Data: <  ;&#151;@           > 20 1A 3B 97 40 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x00000240973B1A20, 320 bytes long.
 Data: <`*;&#151;@   &#160;&#188;:&#151;@   > 60 2A 3B 97 40 02 00 00 A0 BC 3A 97 40 02 00 00 
{271} normal block at 0x00000240973B1FC0, 16 bytes long.
 Data: <P0;&#151;@           > 50 30 3B 97 40 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x00000240973B22E0, 16 bytes long.
 Data: <(0;&#151;@           > 28 30 3B 97 40 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x00000240973ABFA0, 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 0x00000240973B25B0, 16 bytes long.
 Data: < 0;&#151;@           > 00 30 3B 97 40 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x00000240973AC2A0, 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 0x00000240973B27E0, 16 bytes long.
 Data: <H/;&#151;@           > 48 2F 3B 97 40 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x00000240973B29C0, 16 bytes long.
 Data: < /;&#151;@           > 20 2F 3B 97 40 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x00000240973B2420, 16 bytes long.
 Data: <&#248;.;&#151;@           > F8 2E 3B 97 40 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x00000240973B2A10, 16 bytes long.
 Data: <&#208;.;&#151;@           > D0 2E 3B 97 40 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x00000240973B2560, 16 bytes long.
 Data: <&#168;.;&#151;@           > A8 2E 3B 97 40 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x00000240973B1F70, 16 bytes long.
 Data: < .;&#151;@           > 80 2E 3B 97 40 02 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x00000240973B2B50, 16 bytes long.
 Data: <  :&#151;@           > 20 A2 3A 97 40 02 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x00000240973AA220, 40 bytes long.
 Data: <P+;&#151;@   P7&#239; @   > 50 2B 3B 97 40 02 00 00 50 37 EF 98 40 02 00 00 
{257} normal block at 0x00000240973B26F0, 16 bytes long.
 Data: <`.;&#151;@           > 60 2E 3B 97 40 02 00 00 00 00 00 00 00 00 00 00 
{256} normal block at 0x00000240973B2600, 16 bytes long.
 Data: <8.;&#151;@           > 38 2E 3B 97 40 02 00 00 00 00 00 00 00 00 00 00 
{255} normal block at 0x00000240973AC1E0, 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 0x00000240973B2010, 16 bytes long.
 Data: < .;&#151;@           > 10 2E 3B 97 40 02 00 00 00 00 00 00 00 00 00 00 
{253} normal block at 0x00000240973B2E10, 992 bytes long.
 Data: <  ;&#151;@   &#224;&#193;:&#151;@   > 10 20 3B 97 40 02 00 00 E0 C1 3A 97 40 02 00 00 
{89} normal block at 0x00000240973AC240, 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 0x00000240973A5470, 16 bytes long.
 Data: <0&#165;:&#151;@           > 30 A5 3A 97 40 02 00 00 00 00 00 00 00 00 00 00 
{87} normal block at 0x00000240973AA530, 40 bytes long.
 Data: <pT:&#151;@   @&#194;:&#151;@   > 70 54 3A 97 40 02 00 00 40 C2 3A 97 40 02 00 00 
{66} normal block at 0x00000240973A5C90, 16 bytes long.
 Data: < &#234;X&#216;&#247;           > 80 EA 58 D8 F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x00000240973A59C0, 16 bytes long.
 Data: <@&#233;X&#216;&#247;           > 40 E9 58 D8 F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x00000240973A5650, 16 bytes long.
 Data: <&#248;WU&#216;&#247;           > F8 57 55 D8 F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x00000240973A5740, 16 bytes long.
 Data: <&#216;WU&#216;&#247;           > D8 57 55 D8 F7 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x00000240973A5B00, 16 bytes long.
 Data: <P U&#216;&#247;           > 50 04 55 D8 F7 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x00000240973A5EC0, 16 bytes long.
 Data: <0 U&#216;&#247;           > 30 04 55 D8 F7 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x00000240973A6190, 16 bytes long.
 Data: <&#224; U&#216;&#247;           > E0 02 55 D8 F7 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x00000240973A6370, 16 bytes long.
 Data: <  U&#216;&#247;           > 10 04 55 D8 F7 7F 00 00 00 00 00 00 00 00 00 00 
{58} normal block at 0x00000240973A5E20, 16 bytes long.
 Data: <p U&#216;&#247;           > 70 04 55 D8 F7 7F 00 00 00 00 00 00 00 00 00 00 
{57} normal block at 0x00000240973A6000, 16 bytes long.
 Data: < &#192;S&#216;&#247;           > 18 C0 53 D8 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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