Task 38687370

Name test_435-GPUGRID_TEST_ATM_40STEP_20261023-29-40-RND5744_0
Workunit 31628762
Created 28 Oct 2026, 7:27:51 UTC
Sent 28 Oct 2026, 7:27:54 UTC
Report deadline 2 Nov 2026, 7:27:54 UTC
Received 28 Oct 2026, 9:34:00 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 644440
Run time 58 min 59 sec
CPU time 58 min 59 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 8,090.66 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 740.83 MB
Peak swap size 12.90 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.4</core_client_version>
<![CDATA[
<stderr_txt>
04:33:30 (62296): wrapper (7.9.26016): starting
04:33:30 (62296): 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
04:33:31 (62296): Library/usr/bin/tar.exe exited; CPU time 0.031250
04:33:31 (62296): 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\32\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\32\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
05:33:19 (62296): C:/Windows/system32/cmd.exe exited; CPU time 3539.312500
05:33:19 (62296): 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: 103627567 bytes.
Dumping objects ->
{3835512} normal block at 0x000001B4B32CE430, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835501} normal block at 0x000001B4B15B6440, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835490} normal block at 0x000001B4B15B6360, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835479} normal block at 0x000001B4B15B6210, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835468} normal block at 0x000001B4B15B61A0, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835437} normal block at 0x000001B4B3319C90, 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) : {3835424} normal block at 0x000001B4B15AFEE0, 8 bytes long.
 Data: <  &#156;&#177;&#180;   > 00 00 9C B1 B4 01 00 00 
{3833965} normal block at 0x000001B4B15B0110, 8 bytes long.
 Data: <&#160;&#230;Y&#177;&#180;   > A0 E6 59 B1 B4 01 00 00 
..\zip\boinc_zip.cpp(122) : {314} normal block at 0x000001B4B15A82C0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{299} normal block at 0x000001B4B15A0FF0, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{298} normal block at 0x000001B4B15B7930, 16 bytes long.
 Data: < }[&#177;&#180;           > 18 7D 5B B1 B4 01 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x000001B4B15B7020, 16 bytes long.
 Data: <&#240;|[&#177;&#180;           > F0 7C 5B B1 B4 01 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x000001B4B15B1E40, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{295} normal block at 0x000001B4B15B7160, 16 bytes long.
 Data: <&#200;|[&#177;&#180;           > C8 7C 5B B1 B4 01 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x000001B4B15B6E40, 16 bytes long.
 Data: <&#160;|[&#177;&#180;           > A0 7C 5B B1 B4 01 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x000001B4B15B76B0, 16 bytes long.
 Data: <x|[&#177;&#180;           > 78 7C 5B B1 B4 01 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x000001B4B15B7340, 16 bytes long.
 Data: <P|[&#177;&#180;           > 50 7C 5B B1 B4 01 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x000001B4B15B60C0, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{290} normal block at 0x000001B4B15B6D00, 16 bytes long.
 Data: <8&#176;Z&#177;&#180;           > 38 B0 5A B1 B4 01 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x000001B4B15B2800, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{288} normal block at 0x000001B4B15B7700, 16 bytes long.
 Data: < &#176;Z&#177;&#180;           > 10 B0 5A B1 B4 01 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x000001B4B15B77F0, 16 bytes long.
 Data: <&#232;&#175;Z&#177;&#180;           > E8 AF 5A B1 B4 01 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x000001B4B15B7750, 16 bytes long.
 Data: <&#192;&#175;Z&#177;&#180;           > C0 AF 5A B1 B4 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000001B4B15B72F0, 16 bytes long.
 Data: < &#175;Z&#177;&#180;           > 98 AF 5A B1 B4 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000001B4B15B6F80, 16 bytes long.
 Data: <p&#175;Z&#177;&#180;           > 70 AF 5A B1 B4 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000001B4B15B6E90, 16 bytes long.
 Data: <H&#175;Z&#177;&#180;           > 48 AF 5A B1 B4 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000001B4B15B1D80, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{280} normal block at 0x000001B4B15B73E0, 16 bytes long.
 Data: < &#175;Z&#177;&#180;           > 20 AF 5A B1 B4 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000001B4B15AAF20, 320 bytes long.
 Data: <&#224;s[&#177;&#180;     [&#177;&#180;   > E0 73 5B B1 B4 01 00 00 80 1D 5B B1 B4 01 00 00 
{278} normal block at 0x000001B4B15B7390, 16 bytes long.
 Data: <0|[&#177;&#180;           > 30 7C 5B B1 B4 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000001B4B15B75C0, 16 bytes long.
 Data: < |[&#177;&#180;           > 08 7C 5B B1 B4 01 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x000001B4B15B2560, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{275} normal block at 0x000001B4B15B72A0, 16 bytes long.
 Data: <&#224;{[&#177;&#180;           > E0 7B 5B B1 B4 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x000001B4B15B2020, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{273} normal block at 0x000001B4B15B74D0, 16 bytes long.
 Data: <({[&#177;&#180;           > 28 7B 5B B1 B4 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000001B4B15B6A30, 16 bytes long.
 Data: < {[&#177;&#180;           > 00 7B 5B B1 B4 01 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x000001B4B15B6B70, 16 bytes long.
 Data: <&#216;z[&#177;&#180;           > D8 7A 5B B1 B4 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x000001B4B15B70C0, 16 bytes long.
 Data: <&#176;z[&#177;&#180;           > B0 7A 5B B1 B4 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000001B4B15B7070, 16 bytes long.
 Data: < z[&#177;&#180;           > 88 7A 5B B1 B4 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000001B4B15B7110, 16 bytes long.
 Data: <`z[&#177;&#180;           > 60 7A 5B B1 B4 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000001B4B15B7520, 16 bytes long.
 Data: < b[&#177;&#180;           > 80 62 5B B1 B4 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x000001B4B15B6280, 40 bytes long.
 Data: < u[&#177;&#180;    &#156;1&#179;&#180;   > 20 75 5B B1 B4 01 00 00 90 9C 31 B3 B4 01 00 00 
{264} normal block at 0x000001B4B15B7250, 16 bytes long.
 Data: <@z[&#177;&#180;           > 40 7A 5B B1 B4 01 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x000001B4B15B7890, 16 bytes long.
 Data: < z[&#177;&#180;           > 18 7A 5B B1 B4 01 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x000001B4B15B24A0, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{261} normal block at 0x000001B4B15B77A0, 16 bytes long.
 Data: <&#240;y[&#177;&#180;           > F0 79 5B B1 B4 01 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x000001B4B15B79F0, 992 bytes long.
 Data: <&#160;w[&#177;&#180;   &#160;$[&#177;&#180;   > A0 77 5B B1 B4 01 00 00 A0 24 5B B1 B4 01 00 00 
{96} normal block at 0x000001B4B15B2860, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{95} normal block at 0x000001B4B15B0340, 16 bytes long.
 Data: <p&#226;Y&#177;&#180;           > 70 E2 59 B1 B4 01 00 00 00 00 00 00 00 00 00 00 
{94} normal block at 0x000001B4B159E270, 40 bytes long.
 Data: <@ [&#177;&#180;   `([&#177;&#180;   > 40 03 5B B1 B4 01 00 00 60 28 5B B1 B4 01 00 00 
{73} normal block at 0x000001B4B15AF800, 16 bytes long.
 Data: < &#234;&#253;&#225;&#246;           > 80 EA FD E1 F6 7F 00 00 00 00 00 00 00 00 00 00 
{72} normal block at 0x000001B4B15AFE90, 16 bytes long.
 Data: <@&#233;&#253;&#225;&#246;           > 40 E9 FD E1 F6 7F 00 00 00 00 00 00 00 00 00 00 
{71} normal block at 0x000001B4B15AFAD0, 16 bytes long.
 Data: <&#248;W&#250;&#225;&#246;           > F8 57 FA E1 F6 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x000001B4B15AF8A0, 16 bytes long.
 Data: <&#216;W&#250;&#225;&#246;           > D8 57 FA E1 F6 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x000001B4B15B04D0, 16 bytes long.
 Data: <P &#250;&#225;&#246;           > 50 04 FA E1 F6 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x000001B4B15B0430, 16 bytes long.
 Data: <0 &#250;&#225;&#246;           > 30 04 FA E1 F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x000001B4B15B02A0, 16 bytes long.
 Data: <&#224; &#250;&#225;&#246;           > E0 02 FA E1 F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000001B4B15B0160, 16 bytes long.
 Data: <  &#250;&#225;&#246;           > 10 04 FA E1 F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000001B4B15B0700, 16 bytes long.
 Data: <p &#250;&#225;&#246;           > 70 04 FA E1 F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x000001B4B15B03E0, 16 bytes long.
 Data: < &#192;&#248;&#225;&#246;           > 18 C0 F8 E1 F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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