Task 38688668

Name test_715-GPUGRID_TEST_ATM_40STEP_20261023-31-40-RND4691_0
Workunit 31629995
Created 28 Oct 2026, 15:29:28 UTC
Sent 28 Oct 2026, 15:29:35 UTC
Report deadline 2 Nov 2026, 15:29:35 UTC
Received 28 Oct 2026, 16:04:16 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 654804
Run time 21 min 53 sec
CPU time 21 min 20 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 31,599.15 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 711.45 MB
Peak swap size 6.96 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
11:39:09 (6940): wrapper (7.9.26016): starting
11:39:09 (6940): 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
11:39:10 (6940): Library/usr/bin/tar.exe exited; CPU time 0.015625
11:39:10 (6940): 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
12:01:03 (6940): C:/Windows/system32/cmd.exe exited; CPU time 1280.109375
12:01:03 (6940): 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: 22979385 bytes.
Dumping objects ->
{3835255} normal block at 0x000001E63B4285D0, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835244} normal block at 0x000001E63B428C60, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835233} normal block at 0x000001E63B428870, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835222} normal block at 0x000001E63B428B80, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835211} normal block at 0x000001E63B428E90, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835180} normal block at 0x000001E63D441EA0, 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) : {3835167} normal block at 0x000001E63B3FC480, 8 bytes long.
 Data: <   ;&#230;   > 00 00 8D 3B E6 01 00 00 
{3833967} normal block at 0x000001E63B3FC2F0, 8 bytes long.
 Data: < -@;&#230;   > 00 2D 40 3B E6 01 00 00 
..\zip\boinc_zip.cpp(122) : {315} normal block at 0x000001E63B3CDE90, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{300} normal block at 0x000001E63B402330, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{299} normal block at 0x000001E63B405390, 16 bytes long.
 Data: <&#184;b@;&#230;           > B8 62 40 3B E6 01 00 00 00 00 00 00 00 00 00 00 
{298} normal block at 0x000001E63B4054D0, 16 bytes long.
 Data: < b@;&#230;           > 90 62 40 3B E6 01 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x000001E63B3F56A0, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{296} normal block at 0x000001E63B405340, 16 bytes long.
 Data: <hb@;&#230;           > 68 62 40 3B E6 01 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x000001E63B405750, 16 bytes long.
 Data: <@b@;&#230;           > 40 62 40 3B E6 01 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x000001E63B405020, 16 bytes long.
 Data: < b@;&#230;           > 18 62 40 3B E6 01 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x000001E63B405A70, 16 bytes long.
 Data: <&#240;a@;&#230;           > F0 61 40 3B E6 01 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x000001E63B3FE520, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{291} normal block at 0x000001E63B405430, 16 bytes long.
 Data: < &#191;<;&#230;           > 98 BF 3C 3B E6 01 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x000001E63B3F55E0, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{289} normal block at 0x000001E63B405D90, 16 bytes long.
 Data: <p&#191;<;&#230;           > 70 BF 3C 3B E6 01 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x000001E63B405610, 16 bytes long.
 Data: <H&#191;<;&#230;           > 48 BF 3C 3B E6 01 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x000001E63B405F20, 16 bytes long.
 Data: < &#191;<;&#230;           > 20 BF 3C 3B E6 01 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x000001E63B405890, 16 bytes long.
 Data: <&#248;&#190;<;&#230;           > F8 BE 3C 3B E6 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000001E63B4052A0, 16 bytes long.
 Data: <&#208;&#190;<;&#230;           > D0 BE 3C 3B E6 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000001E63B405E30, 16 bytes long.
 Data: <&#168;&#190;<;&#230;           > A8 BE 3C 3B E6 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000001E63B3F5DC0, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{281} normal block at 0x000001E63B405B10, 16 bytes long.
 Data: < &#190;<;&#230;           > 80 BE 3C 3B E6 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000001E63B3CBE80, 320 bytes long.
 Data: < [@;&#230;   &#192;]?;&#230;   > 10 5B 40 3B E6 01 00 00 C0 5D 3F 3B E6 01 00 00 
{279} normal block at 0x000001E63B4058E0, 16 bytes long.
 Data: <&#208;a@;&#230;           > D0 61 40 3B E6 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x000001E63B405C00, 16 bytes long.
 Data: <&#168;a@;&#230;           > A8 61 40 3B E6 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000001E63B3F6000, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{276} normal block at 0x000001E63B405DE0, 16 bytes long.
 Data: < a@;&#230;           > 80 61 40 3B E6 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000001E63B3F5580, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{274} normal block at 0x000001E63B405A20, 16 bytes long.
 Data: <&#200;`@;&#230;           > C8 60 40 3B E6 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x000001E63B405250, 16 bytes long.
 Data: <&#160;`@;&#230;           > A0 60 40 3B E6 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000001E63B405200, 16 bytes long.
 Data: <x`@;&#230;           > 78 60 40 3B E6 01 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x000001E63B405070, 16 bytes long.
 Data: <P`@;&#230;           > 50 60 40 3B E6 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x000001E63B4056B0, 16 bytes long.
 Data: <(`@;&#230;           > 28 60 40 3B E6 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000001E63B405520, 16 bytes long.
 Data: < `@;&#230;           > 00 60 40 3B E6 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000001E63B405570, 16 bytes long.
 Data: <&#240;&#233;?;&#230;           > F0 E9 3F 3B E6 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000001E63B3FE9F0, 40 bytes long.
 Data: <pU@;&#230;   &#160; D=&#230;   > 70 55 40 3B E6 01 00 00 A0 1E 44 3D E6 01 00 00 
{265} normal block at 0x000001E63B4057A0, 16 bytes long.
 Data: <&#224;_@;&#230;           > E0 5F 40 3B E6 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000001E63B405840, 16 bytes long.
 Data: <&#184;_@;&#230;           > B8 5F 40 3B E6 01 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x000001E63B3F6300, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{262} normal block at 0x000001E63B405160, 16 bytes long.
 Data: < _@;&#230;           > 90 5F 40 3B E6 01 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x000001E63B405F90, 992 bytes long.
 Data: <`Q@;&#230;    c?;&#230;   > 60 51 40 3B E6 01 00 00 00 63 3F 3B E6 01 00 00 
{97} normal block at 0x000001E63B3F5B20, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{96} normal block at 0x000001E63B3FCE80, 16 bytes long.
 Data: <@&#235;?;&#230;           > 40 EB 3F 3B E6 01 00 00 00 00 00 00 00 00 00 00 
{95} normal block at 0x000001E63B3FEB40, 40 bytes long.
 Data: < &#206;?;&#230;    [?;&#230;   > 80 CE 3F 3B E6 01 00 00 20 5B 3F 3B E6 01 00 00 
{74} normal block at 0x000001E63B3FC430, 16 bytes long.
 Data: < &#234;  &#247;           > 80 EA 17 10 F7 7F 00 00 00 00 00 00 00 00 00 00 
{73} normal block at 0x000001E63B3FC7A0, 16 bytes long.
 Data: <@&#233;  &#247;           > 40 E9 17 10 F7 7F 00 00 00 00 00 00 00 00 00 00 
{72} normal block at 0x000001E63B3FCD90, 16 bytes long.
 Data: <&#248;W  &#247;           > F8 57 14 10 F7 7F 00 00 00 00 00 00 00 00 00 00 
{71} normal block at 0x000001E63B3FCB60, 16 bytes long.
 Data: <&#216;W  &#247;           > D8 57 14 10 F7 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x000001E63B3FC660, 16 bytes long.
 Data: <P   &#247;           > 50 04 14 10 F7 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x000001E63B3FCF20, 16 bytes long.
 Data: <0   &#247;           > 30 04 14 10 F7 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x000001E63B3FC840, 16 bytes long.
 Data: <&#224;   &#247;           > E0 02 14 10 F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x000001E63B3FC2A0, 16 bytes long.
 Data: <    &#247;           > 10 04 14 10 F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000001E63B3FCE30, 16 bytes long.
 Data: <p   &#247;           > 70 04 14 10 F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000001E63B3FC570, 16 bytes long.
 Data: < &#192;  &#247;           > 18 C0 12 10 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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