Task 38685286

Name test_285-GPUGRID_TEST_ATM_40STEP_20261023-33-40-RND8717_0
Workunit 31626761
Created 27 Oct 2026, 20:19:30 UTC
Sent 27 Oct 2026, 20:19:33 UTC
Report deadline 1 Nov 2026, 20:19:33 UTC
Received 27 Oct 2026, 21:46:23 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 648831
Run time 28 min 6 sec
CPU time 25 min 9 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 83,070.51 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 734.08 MB
Peak swap size 13.15 GB
Peak disk usage 4.05 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
06:11:17 (7324): wrapper (7.9.26016): starting
06:11:17 (7324): 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
06:11:19 (7324): Library/usr/bin/tar.exe exited; CPU time 0.000000
06:11:19 (7324): 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\28\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\28\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
06:37:40 (7324): C:/Windows/system32/cmd.exe exited; CPU time 1509.390625
06:37:40 (7324): called boinc_finish(0)
0 bytes in 0 Free Blocks.
460 bytes in 8 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: 27953487 bytes.
Dumping objects ->
{3835370} normal block at 0x000001CCCE34E850, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835359} normal block at 0x000001CCCE34E4D0, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835348} normal block at 0x000001CCCE34EB60, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835337} normal block at 0x000001CCCE34F2D0, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835326} normal block at 0x000001CCCE34E690, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835295} normal block at 0x000001CCD031FBE0, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835284} normal block at 0x000001CCD0332FA0, 102 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
..\api\boinc_api.cpp(309) : {3835281} normal block at 0x000001CCCE31D0B0, 8 bytes long.
 Data: <  -&#206;&#204;   > 00 00 2D CE CC 01 00 00 
{3834663} normal block at 0x000001CCD0333050, 102 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3834061} normal block at 0x000001CCCE31D970, 8 bytes long.
 Data: <  0&#206;&#204;   > 20 F9 30 CE CC 01 00 00 
..\zip\boinc_zip.cpp(122) : {313} normal block at 0x000001CCCE32BEE0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{298} normal block at 0x000001CCCE30DB60, 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 0x000001CCCE328F10, 16 bytes long.
 Data: < &#162;2&#206;&#204;           > 18 A2 32 CE CC 01 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x000001CCCE3294B0, 16 bytes long.
 Data: < &#161;2&#206;&#204;           > F0 A1 32 CE CC 01 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x000001CCCE325340, 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 0x000001CCCE328F60, 16 bytes long.
 Data: <&#200;&#161;2&#206;&#204;           > C8 A1 32 CE CC 01 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x000001CCCE329000, 16 bytes long.
 Data: < &#161;2&#206;&#204;           > A0 A1 32 CE CC 01 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x000001CCCE329CD0, 16 bytes long.
 Data: <x&#161;2&#206;&#204;           > 78 A1 32 CE CC 01 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x000001CCCE3298C0, 16 bytes long.
 Data: <P&#161;2&#206;&#204;           > 50 A1 32 CE CC 01 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x000001CCCE3239E0, 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 0x000001CCCE329C30, 16 bytes long.
 Data: <  2&#206;&#204;           > 18 8C 32 CE CC 01 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x000001CCCE3252E0, 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 0x000001CCCE329820, 16 bytes long.
 Data: <  2&#206;&#204;           > F0 8B 32 CE CC 01 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x000001CCCE328DD0, 16 bytes long.
 Data: <&#200; 2&#206;&#204;           > C8 8B 32 CE CC 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000001CCCE328EC0, 16 bytes long.
 Data: <  2&#206;&#204;           > A0 8B 32 CE CC 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000001CCCE3297D0, 16 bytes long.
 Data: <x 2&#206;&#204;           > 78 8B 32 CE CC 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000001CCCE329280, 16 bytes long.
 Data: <P 2&#206;&#204;           > 50 8B 32 CE CC 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000001CCCE328E20, 16 bytes long.
 Data: <( 2&#206;&#204;           > 28 8B 32 CE CC 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000001CCCE324B60, 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 0x000001CCCE329230, 16 bytes long.
 Data: <  2&#206;&#204;           > 00 8B 32 CE CC 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x000001CCCE328B00, 320 bytes long.
 Data: <0 2&#206;&#204;   `K2&#206;&#204;   > 30 92 32 CE CC 01 00 00 60 4B 32 CE CC 01 00 00 
{277} normal block at 0x000001CCCE3291E0, 16 bytes long.
 Data: <0&#161;2&#206;&#204;           > 30 A1 32 CE CC 01 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x000001CCCE329B90, 16 bytes long.
 Data: < &#161;2&#206;&#204;           > 08 A1 32 CE CC 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000001CCCE324F20, 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 0x000001CCCE3295A0, 16 bytes long.
 Data: <  2&#206;&#204;           > E0 A0 32 CE CC 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x000001CCCE324860, 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 0x000001CCCE328FB0, 16 bytes long.
 Data: <( 2&#206;&#204;           > 28 A0 32 CE CC 01 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x000001CCCE329960, 16 bytes long.
 Data: <  2&#206;&#204;           > 00 A0 32 CE CC 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x000001CCCE328D80, 16 bytes long.
 Data: <&#216; 2&#206;&#204;           > D8 9F 32 CE CC 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000001CCCE329190, 16 bytes long.
 Data: <&#176; 2&#206;&#204;           > B0 9F 32 CE CC 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000001CCCE3295F0, 16 bytes long.
 Data: <  2&#206;&#204;           > 88 9F 32 CE CC 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000001CCCE329140, 16 bytes long.
 Data: <` 2&#206;&#204;           > 60 9F 32 CE CC 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x000001CCCE329B40, 16 bytes long.
 Data: < 92&#206;&#204;           > 00 39 32 CE CC 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000001CCCE323900, 40 bytes long.
 Data: <@ 2&#206;&#204;     1&#208;&#204;   > 40 9B 32 CE CC 01 00 00 E0 FB 31 D0 CC 01 00 00 
{263} normal block at 0x000001CCCE3299B0, 16 bytes long.
 Data: <@ 2&#206;&#204;           > 40 9F 32 CE CC 01 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x000001CCCE329690, 16 bytes long.
 Data: <  2&#206;&#204;           > 18 9F 32 CE CC 01 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x000001CCCE324EC0, 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 0x000001CCCE329C80, 16 bytes long.
 Data: <  2&#206;&#204;           > F0 9E 32 CE CC 01 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x000001CCCE329EF0, 992 bytes long.
 Data: <  2&#206;&#204;   &#192;N2&#206;&#204;   > 80 9C 32 CE CC 01 00 00 C0 4E 32 CE CC 01 00 00 
{95} normal block at 0x000001CCCE325040, 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 0x000001CCCE31D1A0, 16 bytes long.
 Data: < 52&#206;&#204;           > F0 35 32 CE CC 01 00 00 00 00 00 00 00 00 00 00 
{93} normal block at 0x000001CCCE3235F0, 40 bytes long.
 Data: < &#209;1&#206;&#204;   @P2&#206;&#204;   > A0 D1 31 CE CC 01 00 00 40 50 32 CE CC 01 00 00 
{70} normal block at 0x000001CCCE31CF70, 16 bytes long.
 Data: <   ;            > 80 EA 03 3B F6 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x000001CCCE31D9C0, 16 bytes long.
 Data: <@  ;            > 40 E9 03 3B F6 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x000001CCCE31D150, 16 bytes long.
 Data: < W ;            > F8 57 00 3B F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x000001CCCE31D6A0, 16 bytes long.
 Data: <&#216;W ;            > D8 57 00 3B F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000001CCCE31D5B0, 16 bytes long.
 Data: <P  ;            > 50 04 00 3B F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000001CCCE31D060, 16 bytes long.
 Data: <0  ;            > 30 04 00 3B F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x000001CCCE31D880, 16 bytes long.
 Data: <   ;            > E0 02 00 3B F6 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x000001CCCE31D560, 16 bytes long.
 Data: <   ;            > 10 04 00 3B F6 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x000001CCCE31CFC0, 16 bytes long.
 Data: <p  ;            > 70 04 00 3B F6 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x000001CCCE31D380, 16 bytes long.
 Data: < &#192; :            > 18 C0 FE 3A F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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