Task 38698044

Name test_847-GPUGRID_TEST_ATM_40STEP_20261023-36-40-RND5555_0
Workunit 31638579
Created 2 Nov 2026, 2:29:39 UTC
Sent 2 Nov 2026, 2:29:43 UTC
Report deadline 7 Nov 2026, 2:29:43 UTC
Received 2 Nov 2026, 3:11:40 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 631297
Run time 40 min 32 sec
CPU time 37 min 49 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 24,398.38 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 730.62 MB
Peak swap size 6.90 GB
Peak disk usage 4.15 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
03:31:29 (20256): wrapper (7.9.26016): starting
03:31:29 (20256): 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
03:31:32 (20256): Library/usr/bin/tar.exe exited; CPU time 0.031250
03:31:32 (20256): 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
04:10:41 (20256): C:/Windows/system32/cmd.exe exited; CPU time 2269.031250
04:10:41 (20256): 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: 37381489 bytes.
Dumping objects ->
{3835243} normal block at 0x000001E7189BA1C0, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835232} normal block at 0x000001E7189BA2A0, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835221} normal block at 0x000001E716B920C0, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835210} normal block at 0x000001E716B91FE0, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835199} normal block at 0x000001E716B921A0, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835168} normal block at 0x000001E71895B580, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835157} normal block at 0x000001E7189BC730, 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) : {3835154} normal block at 0x000001E716B8B2D0, 8 bytes long.
 Data: <    &#231;   > 00 00 0B 17 E7 01 00 00 
{3834551} normal block at 0x000001E7189BC520, 102 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833963} normal block at 0x000001E716B8B5F0, 8 bytes long.
 Data: <&#176;&#171;&#139; &#231;   > B0 AB 8B 18 E7 01 00 00 
..\zip\boinc_zip.cpp(122) : {313} normal block at 0x000001E716B8EBD0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{298} normal block at 0x000001E716B85520, 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 0x000001E716B92D70, 16 bytes long.
 Data: <hA&#185; &#231;           > 68 41 B9 16 E7 01 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x000001E716B93680, 16 bytes long.
 Data: <@A&#185; &#231;           > 40 41 B9 16 E7 01 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x000001E716B8C6E0, 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 0x000001E716B93BD0, 16 bytes long.
 Data: < A&#185; &#231;           > 18 41 B9 16 E7 01 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x000001E716B93950, 16 bytes long.
 Data: <&#240;@&#185; &#231;           > F0 40 B9 16 E7 01 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x000001E716B93400, 16 bytes long.
 Data: <&#200;@&#185; &#231;           > C8 40 B9 16 E7 01 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x000001E716B92F00, 16 bytes long.
 Data: <&#160;@&#185; &#231;           > A0 40 B9 16 E7 01 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x000001E716B92440, 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 0x000001E716B93900, 16 bytes long.
 Data: <h+&#185; &#231;           > 68 2B B9 16 E7 01 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x000001E716B8C500, 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 0x000001E716B92F50, 16 bytes long.
 Data: <@+&#185; &#231;           > 40 2B B9 16 E7 01 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x000001E716B93B30, 16 bytes long.
 Data: < +&#185; &#231;           > 18 2B B9 16 E7 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000001E716B93A40, 16 bytes long.
 Data: <&#240;*&#185; &#231;           > F0 2A B9 16 E7 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000001E716B92E60, 16 bytes long.
 Data: <&#200;*&#185; &#231;           > C8 2A B9 16 E7 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000001E716B92EB0, 16 bytes long.
 Data: <&#160;*&#185; &#231;           > A0 2A B9 16 E7 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000001E716B938B0, 16 bytes long.
 Data: <x*&#185; &#231;           > 78 2A B9 16 E7 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000001E716B8CA40, 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 0x000001E716B93270, 16 bytes long.
 Data: <P*&#185; &#231;           > 50 2A B9 16 E7 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x000001E716B92A50, 320 bytes long.
 Data: <p2&#185; &#231;   @&#202;&#184; &#231;   > 70 32 B9 16 E7 01 00 00 40 CA B8 16 E7 01 00 00 
{277} normal block at 0x000001E716B931D0, 16 bytes long.
 Data: < @&#185; &#231;           > 80 40 B9 16 E7 01 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x000001E716B93180, 16 bytes long.
 Data: <X@&#185; &#231;           > 58 40 B9 16 E7 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000001E716B8C3E0, 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 0x000001E716B93860, 16 bytes long.
 Data: <0@&#185; &#231;           > 30 40 B9 16 E7 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x000001E716B8CE00, 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 0x000001E716B93AE0, 16 bytes long.
 Data: <x?&#185; &#231;           > 78 3F B9 16 E7 01 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x000001E716B92CD0, 16 bytes long.
 Data: <P?&#185; &#231;           > 50 3F B9 16 E7 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x000001E716B93590, 16 bytes long.
 Data: <(?&#185; &#231;           > 28 3F B9 16 E7 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000001E716B93090, 16 bytes long.
 Data: < ?&#185; &#231;           > 00 3F B9 16 E7 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000001E716B93A90, 16 bytes long.
 Data: <&#216;>&#185; &#231;           > D8 3E B9 16 E7 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000001E716B937C0, 16 bytes long.
 Data: <&#176;>&#185; &#231;           > B0 3E B9 16 E7 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x000001E716B92D20, 16 bytes long.
 Data: <&#208;#&#185; &#231;           > D0 23 B9 16 E7 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000001E716B923D0, 40 bytes long.
 Data: < -&#185; &#231;    &#181;&#149; &#231;   > 20 2D B9 16 E7 01 00 00 80 B5 95 18 E7 01 00 00 
{263} normal block at 0x000001E716B93630, 16 bytes long.
 Data: < >&#185; &#231;           > 90 3E B9 16 E7 01 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x000001E716B92E10, 16 bytes long.
 Data: <h>&#185; &#231;           > 68 3E B9 16 E7 01 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x000001E716B8C4A0, 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 0x000001E716B92DC0, 16 bytes long.
 Data: <@>&#185; &#231;           > 40 3E B9 16 E7 01 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x000001E716B93E40, 992 bytes long.
 Data: <&#192;-&#185; &#231;   &#160;&#196;&#184; &#231;   > C0 2D B9 16 E7 01 00 00 A0 C4 B8 16 E7 01 00 00 
{95} normal block at 0x000001E716B8C740, 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 0x000001E716B8ABA0, 16 bytes long.
 Data: <&#160;&#193;&#184; &#231;           > A0 C1 B8 16 E7 01 00 00 00 00 00 00 00 00 00 00 
{93} normal block at 0x000001E716B8C1A0, 40 bytes long.
 Data: <&#160;&#171;&#184; &#231;   @&#199;&#184; &#231;   > A0 AB B8 16 E7 01 00 00 40 C7 B8 16 E7 01 00 00 
{72} normal block at 0x000001E716B8B5A0, 16 bytes long.
 Data: < &#234;c&#163;&#246;           > 80 EA 63 A3 F6 7F 00 00 00 00 00 00 00 00 00 00 
{71} normal block at 0x000001E716B8B050, 16 bytes long.
 Data: <@&#233;c&#163;&#246;           > 40 E9 63 A3 F6 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x000001E716B8AF10, 16 bytes long.
 Data: <&#248;W`&#163;&#246;           > F8 57 60 A3 F6 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x000001E716B8AA10, 16 bytes long.
 Data: <&#216;W`&#163;&#246;           > D8 57 60 A3 F6 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x000001E716B8B730, 16 bytes long.
 Data: <P `&#163;&#246;           > 50 04 60 A3 F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x000001E716B8B230, 16 bytes long.
 Data: <0 `&#163;&#246;           > 30 04 60 A3 F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000001E716B8B1E0, 16 bytes long.
 Data: <&#224; `&#163;&#246;           > E0 02 60 A3 F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000001E716B8AB00, 16 bytes long.
 Data: <  `&#163;&#246;           > 10 04 60 A3 F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x000001E716B8B190, 16 bytes long.
 Data: <p `&#163;&#246;           > 70 04 60 A3 F6 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x000001E716B8B0F0, 16 bytes long.
 Data: < &#192;^&#163;&#246;           > 18 C0 5E A3 F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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