Task 38684433

Name test_402-GPUGRID_TEST_ATM_40STEP_20261023-22-40-RND7507_0
Workunit 31625948
Created 27 Oct 2026, 16:19:31 UTC
Sent 27 Oct 2026, 16:19:33 UTC
Report deadline 1 Nov 2026, 16:19:33 UTC
Received 27 Oct 2026, 16:49:52 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 613320
Run time 21 min 30 sec
CPU time 19 min 49 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 50,491.95 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 753.14 MB
Peak swap size 10.03 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
17:27:25 (6396): wrapper (7.9.26016): starting
17:27:25 (6396): 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
17:27:26 (6396): Library/usr/bin/tar.exe exited; CPU time 0.000000
17:27:26 (6396): 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
17:47:42 (6396): C:/Windows/system32/cmd.exe exited; CPU time 1189.578125
17:47:42 (6396): 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: 20408567 bytes.
Dumping objects ->
{3835498} normal block at 0x000001A9259B6480, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835487} normal block at 0x000001A9259B6B10, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835476} normal block at 0x000001A9259B6640, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835465} normal block at 0x000001A9259B6AA0, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835454} normal block at 0x000001A9259B6800, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835423} normal block at 0x000001A927728EB0, 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) : {3835410} normal block at 0x000001A9259AD660, 8 bytes long.
 Data: <  &#150;%&#169;   > 00 00 96 25 A9 01 00 00 
{3833963} normal block at 0x000001A9259AD8E0, 8 bytes long.
 Data: < J{'&#169;   > 00 4A 7B 27 A9 01 00 00 
..\zip\boinc_zip.cpp(122) : {313} normal block at 0x000001A9259B1560, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{298} normal block at 0x000001A9259A6C80, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{297} normal block at 0x000001A9259B59A0, 16 bytes long.
 Data: <8c&#155;%&#169;           > 38 63 9B 25 A9 01 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x000001A9259B5130, 16 bytes long.
 Data: < c&#155;%&#169;           > 10 63 9B 25 A9 01 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x000001A9259AFA70, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{294} normal block at 0x000001A9259B5310, 16 bytes long.
 Data: <&#232;b&#155;%&#169;           > E8 62 9B 25 A9 01 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x000001A9259B4B40, 16 bytes long.
 Data: <&#192;b&#155;%&#169;           > C0 62 9B 25 A9 01 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x000001A9259B5770, 16 bytes long.
 Data: < b&#155;%&#169;           > 98 62 9B 25 A9 01 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x000001A9259B54F0, 16 bytes long.
 Data: <pb&#155;%&#169;           > 70 62 9B 25 A9 01 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x000001A9259B6560, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{289} normal block at 0x000001A9259B58B0, 16 bytes long.
 Data: <&#232;&#183; %&#169;           > E8 B7 99 25 A9 01 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x000001A9259AFD10, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{287} normal block at 0x000001A9259B53B0, 16 bytes long.
 Data: <&#192;&#183; %&#169;           > C0 B7 99 25 A9 01 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x000001A9259B5720, 16 bytes long.
 Data: < &#183; %&#169;           > 98 B7 99 25 A9 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000001A9259B52C0, 16 bytes long.
 Data: <p&#183; %&#169;           > 70 B7 99 25 A9 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000001A9259B56D0, 16 bytes long.
 Data: <H&#183; %&#169;           > 48 B7 99 25 A9 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000001A9259B5900, 16 bytes long.
 Data: < &#183; %&#169;           > 20 B7 99 25 A9 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000001A9259B4DC0, 16 bytes long.
 Data: <&#248;&#182; %&#169;           > F8 B6 99 25 A9 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000001A9259AFB90, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{279} normal block at 0x000001A9259B4AF0, 16 bytes long.
 Data: <&#208;&#182; %&#169;           > D0 B6 99 25 A9 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x000001A92599B6D0, 320 bytes long.
 Data: <&#240;J&#155;%&#169;    &#251;&#154;%&#169;   > F0 4A 9B 25 A9 01 00 00 90 FB 9A 25 A9 01 00 00 
{277} normal block at 0x000001A9259B4F50, 16 bytes long.
 Data: <Pb&#155;%&#169;           > 50 62 9B 25 A9 01 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x000001A9259B5860, 16 bytes long.
 Data: <(b&#155;%&#169;           > 28 62 9B 25 A9 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000001A9259AF8F0, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{274} normal block at 0x000001A9259B5270, 16 bytes long.
 Data: < b&#155;%&#169;           > 00 62 9B 25 A9 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x000001A9259AF170, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{272} normal block at 0x000001A9259B5950, 16 bytes long.
 Data: <Ha&#155;%&#169;           > 48 61 9B 25 A9 01 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x000001A9259B4D70, 16 bytes long.
 Data: < a&#155;%&#169;           > 20 61 9B 25 A9 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x000001A9259B50E0, 16 bytes long.
 Data: <&#248;`&#155;%&#169;           > F8 60 9B 25 A9 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000001A9259B4CD0, 16 bytes long.
 Data: <&#208;`&#155;%&#169;           > D0 60 9B 25 A9 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000001A9259B5680, 16 bytes long.
 Data: <&#168;`&#155;%&#169;           > A8 60 9B 25 A9 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000001A9259B4AA0, 16 bytes long.
 Data: < `&#155;%&#169;           > 80 60 9B 25 A9 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x000001A9259B5630, 16 bytes long.
 Data: <&#192;&#201; %&#169;           > C0 C9 99 25 A9 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000001A92599C9C0, 40 bytes long.
 Data: <0V&#155;%&#169;   &#176;&#142;r'&#169;   > 30 56 9B 25 A9 01 00 00 B0 8E 72 27 A9 01 00 00 
{263} normal block at 0x000001A9259B5590, 16 bytes long.
 Data: <``&#155;%&#169;           > 60 60 9B 25 A9 01 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x000001A9259B5040, 16 bytes long.
 Data: <8`&#155;%&#169;           > 38 60 9B 25 A9 01 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x000001A9259AF4D0, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{260} normal block at 0x000001A9259B51D0, 16 bytes long.
 Data: < `&#155;%&#169;           > 10 60 9B 25 A9 01 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x000001A9259B6010, 992 bytes long.
 Data: <&#208;Q&#155;%&#169;   &#208;&#244;&#154;%&#169;   > D0 51 9B 25 A9 01 00 00 D0 F4 9A 25 A9 01 00 00 
{95} normal block at 0x000001A9259AF050, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{94} normal block at 0x000001A9259ADD40, 16 bytes long.
 Data: <&#224;&#218; %&#169;           > E0 DA 99 25 A9 01 00 00 00 00 00 00 00 00 00 00 
{93} normal block at 0x000001A92599DAE0, 40 bytes long.
 Data: <@&#221;&#154;%&#169;   P&#240;&#154;%&#169;   > 40 DD 9A 25 A9 01 00 00 50 F0 9A 25 A9 01 00 00 
{72} normal block at 0x000001A9259ADC50, 16 bytes long.
 Data: < &#234; &#177;&#246;           > 80 EA 81 B1 F6 7F 00 00 00 00 00 00 00 00 00 00 
{71} normal block at 0x000001A9259AD4D0, 16 bytes long.
 Data: <@&#233; &#177;&#246;           > 40 E9 81 B1 F6 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x000001A9259AD570, 16 bytes long.
 Data: <&#248;W~&#177;&#246;           > F8 57 7E B1 F6 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x000001A9259AE100, 16 bytes long.
 Data: <&#216;W~&#177;&#246;           > D8 57 7E B1 F6 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x000001A9259AE060, 16 bytes long.
 Data: <P ~&#177;&#246;           > 50 04 7E B1 F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x000001A9259ADD90, 16 bytes long.
 Data: <0 ~&#177;&#246;           > 30 04 7E B1 F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000001A9259AD750, 16 bytes long.
 Data: <&#224; ~&#177;&#246;           > E0 02 7E B1 F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000001A9259ADA70, 16 bytes long.
 Data: <  ~&#177;&#246;           > 10 04 7E B1 F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x000001A9259AD610, 16 bytes long.
 Data: <p ~&#177;&#246;           > 70 04 7E B1 F6 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x000001A9259ADCF0, 16 bytes long.
 Data: < &#192;|&#177;&#246;           > 18 C0 7C B1 F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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