Task 38665958

Name test_882-GPUGRID_TEST_ATM_40STEP_20261023-2-40-RND9604_0
Workunit 31608994
Created 25 Oct 2026, 1:50:14 UTC
Sent 25 Oct 2026, 2:12:32 UTC
Report deadline 30 Oct 2026, 2:12:32 UTC
Received 25 Oct 2026, 2:43:25 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 617663
Run time 29 min 30 sec
CPU time 27 min 51 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 15,394.34 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 718.18 MB
Peak swap size 6.86 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.4</core_client_version>
<![CDATA[
<stderr_txt>
21:13:31 (7912): wrapper (7.9.26016): starting
21:13:31 (7912): 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
21:13:32 (7912): Library/usr/bin/tar.exe exited; CPU time 0.000000
21:13:32 (7912): 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 'F:\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 'F:\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
21:43:05 (7912): C:/Windows/system32/cmd.exe exited; CPU time 1671.968750
21:43:05 (7912): 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: 36359031 bytes.
Dumping objects ->
{3835194} normal block at 0x000001D17F9997A0, 48 bytes long.
 Data: <PATH=F:\ProgramD> 50 41 54 48 3D 46 3A 5C 50 72 6F 67 72 61 6D 44 
{3835183} normal block at 0x000001D17F0E5660, 48 bytes long.
 Data: <HOME=F:\ProgramD> 48 4F 4D 45 3D 46 3A 5C 50 72 6F 67 72 61 6D 44 
{3835172} normal block at 0x000001D17F0E55F0, 48 bytes long.
 Data: <TMP=F:\ProgramDa> 54 4D 50 3D 46 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835161} normal block at 0x000001D17F0E5580, 48 bytes long.
 Data: <TEMP=F:\ProgramD> 54 45 4D 50 3D 46 3A 5C 50 72 6F 67 72 61 6D 44 
{3835150} normal block at 0x000001D17F0E5510, 48 bytes long.
 Data: <TMPDIR=F:\Progra> 54 4D 50 44 49 52 3D 46 3A 5C 50 72 6F 67 72 61 
{3835119} normal block at 0x000001D17F9A4900, 64 bytes long.
 Data: <PATH=F:\ProgramD> 50 41 54 48 3D 46 3A 5C 50 72 6F 67 72 61 6D 44 
..\api\boinc_api.cpp(309) : {3835106} normal block at 0x000001D17F0DF740, 8 bytes long.
 Data: <  Q &#209;   > 00 00 51 7F D1 01 00 00 
{3833959} normal block at 0x000001D17F0DF1F0, 8 bytes long.
 Data: < &#224;  &#209;   > 10 E0 0C 7F D1 01 00 00 
..\zip\boinc_zip.cpp(122) : {311} normal block at 0x000001D17F0D7270, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x000001D17F0D77B0, 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 0x000001D17F0E7270, 16 bytes long.
 Data: <He  &#209;           > 48 65 0E 7F D1 01 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x000001D17F0E6CD0, 16 bytes long.
 Data: < e  &#209;           > 20 65 0E 7F D1 01 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x000001D17F0E1600, 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 0x000001D17F0E69B0, 16 bytes long.
 Data: <&#248;d  &#209;           > F8 64 0E 7F D1 01 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x000001D17F0E7130, 16 bytes long.
 Data: <&#208;d  &#209;           > D0 64 0E 7F D1 01 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x000001D17F0E6730, 16 bytes long.
 Data: <&#168;d  &#209;           > A8 64 0E 7F D1 01 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x000001D17F0E7220, 16 bytes long.
 Data: < d  &#209;           > 80 64 0E 7F D1 01 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x000001D17F0E5AC0, 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 0x000001D17F0E70E0, 16 bytes long.
 Data: <h&#206;  &#209;           > 68 CE 0C 7F D1 01 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x000001D17F0E1480, 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 0x000001D17F0E6D70, 16 bytes long.
 Data: <@&#206;  &#209;           > 40 CE 0C 7F D1 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000001D17F0E7540, 16 bytes long.
 Data: < &#206;  &#209;           > 18 CE 0C 7F D1 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000001D17F0E6C80, 16 bytes long.
 Data: <&#240;&#205;  &#209;           > F0 CD 0C 7F D1 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000001D17F0E6A50, 16 bytes long.
 Data: <&#200;&#205;  &#209;           > C8 CD 0C 7F D1 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000001D17F0E7040, 16 bytes long.
 Data: <&#160;&#205;  &#209;           > A0 CD 0C 7F D1 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000001D17F0E68C0, 16 bytes long.
 Data: <x&#205;  &#209;           > 78 CD 0C 7F D1 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x000001D17F0E0A60, 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 0x000001D17F0E6F50, 16 bytes long.
 Data: <P&#205;  &#209;           > 50 CD 0C 7F D1 01 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x000001D17F0CCD50, 320 bytes long.
 Data: <Po  &#209;   `   &#209;   > 50 6F 0E 7F D1 01 00 00 60 0A 0E 7F D1 01 00 00 
{275} normal block at 0x000001D17F0E74A0, 16 bytes long.
 Data: <`d  &#209;           > 60 64 0E 7F D1 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x000001D17F0E74F0, 16 bytes long.
 Data: <8d  &#209;           > 38 64 0E 7F D1 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x000001D17F0E1240, 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 0x000001D17F0E6AF0, 16 bytes long.
 Data: < d  &#209;           > 10 64 0E 7F D1 01 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x000001D17F0E0F40, 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 0x000001D17F0E6FA0, 16 bytes long.
 Data: <Xc  &#209;           > 58 63 0E 7F D1 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000001D17F0E6B90, 16 bytes long.
 Data: <0c  &#209;           > 30 63 0E 7F D1 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000001D17F0E6FF0, 16 bytes long.
 Data: < c  &#209;           > 08 63 0E 7F D1 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000001D17F0E71D0, 16 bytes long.
 Data: <&#224;b  &#209;           > E0 62 0E 7F D1 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000001D17F0E7090, 16 bytes long.
 Data: <&#184;b  &#209;           > B8 62 0E 7F D1 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x000001D17F0DF560, 16 bytes long.
 Data: < b  &#209;           > 90 62 0E 7F D1 01 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x000001D17F0DF4C0, 16 bytes long.
 Data: <&#208;V  &#209;           > D0 56 0E 7F D1 01 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x000001D17F0E56D0, 40 bytes long.
 Data: <&#192;&#244;  &#209;    I&#154; &#209;   > C0 F4 0D 7F D1 01 00 00 00 49 9A 7F D1 01 00 00 
{261} normal block at 0x000001D17F0DEFC0, 16 bytes long.
 Data: <pb  &#209;           > 70 62 0E 7F D1 01 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x000001D17F0DF420, 16 bytes long.
 Data: <Hb  &#209;           > 48 62 0E 7F D1 01 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x000001D17F0E0C40, 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 0x000001D17F0DF2E0, 16 bytes long.
 Data: < b  &#209;           > 20 62 0E 7F D1 01 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x000001D17F0E6220, 992 bytes long.
 Data: <&#224;&#242;  &#209;   @   &#209;   > E0 F2 0D 7F D1 01 00 00 40 0C 0E 7F D1 01 00 00 
{93} normal block at 0x000001D17F0E1840, 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 0x000001D17F0DEA70, 16 bytes long.
 Data: < Y  &#209;           > 00 59 0E 7F D1 01 00 00 00 00 00 00 00 00 00 00 
{91} normal block at 0x000001D17F0E5900, 40 bytes long.
 Data: <p&#234;  &#209;   @   &#209;   > 70 EA 0D 7F D1 01 00 00 40 18 0E 7F D1 01 00 00 
{70} normal block at 0x000001D17F0DED40, 16 bytes long.
 Data: < &#234;&&#250;&#247;           > 80 EA 26 FA F7 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x000001D17F0DF6F0, 16 bytes long.
 Data: <@&#233;&&#250;&#247;           > 40 E9 26 FA F7 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x000001D17F0DECA0, 16 bytes long.
 Data: <&#248;W#&#250;&#247;           > F8 57 23 FA F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x000001D17F0DF1A0, 16 bytes long.
 Data: <&#216;W#&#250;&#247;           > D8 57 23 FA F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000001D17F0DF380, 16 bytes long.
 Data: <P #&#250;&#247;           > 50 04 23 FA F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000001D17F0DEB60, 16 bytes long.
 Data: <0 #&#250;&#247;           > 30 04 23 FA F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x000001D17F0DEDE0, 16 bytes long.
 Data: <&#224; #&#250;&#247;           > E0 02 23 FA F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x000001D17F0DEA20, 16 bytes long.
 Data: <  #&#250;&#247;           > 10 04 23 FA F7 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x000001D17F0DF6A0, 16 bytes long.
 Data: <p #&#250;&#247;           > 70 04 23 FA F7 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x000001D17F0DEC50, 16 bytes long.
 Data: < &#192;!&#250;&#247;           > 18 C0 21 FA F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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