Task 38683200

Name test_553-GPUGRID_TEST_ATM_40STEP_20261023-27-40-RND0583_0
Workunit 31624778
Created 27 Oct 2026, 10:51:18 UTC
Sent 27 Oct 2026, 10:51:22 UTC
Report deadline 1 Nov 2026, 10:51:22 UTC
Received 27 Oct 2026, 12:01:41 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 652945
Run time 24 min 6 sec
CPU time 22 min 31 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 17,844.26 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 760.64 MB
Peak swap size 9.98 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
12:38:04 (34680): wrapper (7.9.26016): starting
12:38:04 (34680): 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
12:38:05 (34680): Library/usr/bin/tar.exe exited; CPU time 0.000000
12:38:05 (34680): 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
13:01:18 (34680): C:/Windows/system32/cmd.exe exited; CPU time 1351.187500
13:01:18 (34680): 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: 27560223 bytes.
Dumping objects ->
{3835492} normal block at 0x000001BB9B8F4420, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835481} normal block at 0x000001BB9B8F3E70, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835470} normal block at 0x000001BB9B8F3D90, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835459} normal block at 0x000001BB9B8F3E00, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835448} normal block at 0x000001BB99AB6960, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835417} normal block at 0x000001BB9B941F30, 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) : {3835404} normal block at 0x000001BB99AB1090, 8 bytes long.
 Data: <  &#253; &#187;   > 00 00 FD 99 BB 01 00 00 
{3833967} normal block at 0x000001BB99AB1270, 8 bytes long.
 Data: <`&#151; &#155;&#187;   > 60 97 99 9B BB 01 00 00 
..\zip\boinc_zip.cpp(122) : {315} normal block at 0x000001BB99AAC710, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{300} normal block at 0x000001BB99A9F1D0, 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 0x000001BB99ABA980, 16 bytes long.
 Data: < &#194;&#175; &#187;           > 18 C2 AF 99 BB 01 00 00 00 00 00 00 00 00 00 00 
{298} normal block at 0x000001BB99ABA8E0, 16 bytes long.
 Data: <&#240;&#193;&#175; &#187;           > F0 C1 AF 99 BB 01 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x000001BB99AFB6B0, 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 0x000001BB99ABA7F0, 16 bytes long.
 Data: <&#200;&#193;&#175; &#187;           > C8 C1 AF 99 BB 01 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x000001BB99ABAA20, 16 bytes long.
 Data: <&#160;&#193;&#175; &#187;           > A0 C1 AF 99 BB 01 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x000001BB99ABA930, 16 bytes long.
 Data: <x&#193;&#175; &#187;           > 78 C1 AF 99 BB 01 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x000001BB99ABA750, 16 bytes long.
 Data: <P&#193;&#175; &#187;           > 50 C1 AF 99 BB 01 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x000001BB99AB6B20, 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 0x000001BB99ABA4D0, 16 bytes long.
 Data: <&#248;`&#171; &#187;           > F8 60 AB 99 BB 01 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x000001BB99AFBD70, 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 0x000001BB99ABA2A0, 16 bytes long.
 Data: <&#208;`&#171; &#187;           > D0 60 AB 99 BB 01 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x000001BB99ABA250, 16 bytes long.
 Data: <&#168;`&#171; &#187;           > A8 60 AB 99 BB 01 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x000001BB99ABAD40, 16 bytes long.
 Data: < `&#171; &#187;           > 80 60 AB 99 BB 01 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x000001BB99ABA480, 16 bytes long.
 Data: <X`&#171; &#187;           > 58 60 AB 99 BB 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000001BB99ABA430, 16 bytes long.
 Data: <0`&#171; &#187;           > 30 60 AB 99 BB 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000001BB99ABA700, 16 bytes long.
 Data: < `&#171; &#187;           > 08 60 AB 99 BB 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000001BB99AFBE30, 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 0x000001BB99ABA020, 16 bytes long.
 Data: <&#224;_&#171; &#187;           > E0 5F AB 99 BB 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000001BB99AB5FE0, 320 bytes long.
 Data: < &#160;&#171; &#187;   0&#190;&#175; &#187;   > 20 A0 AB 99 BB 01 00 00 30 BE AF 99 BB 01 00 00 
{279} normal block at 0x000001BB99ABA6B0, 16 bytes long.
 Data: <0&#193;&#175; &#187;           > 30 C1 AF 99 BB 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x000001BB99ABA570, 16 bytes long.
 Data: < &#193;&#175; &#187;           > 08 C1 AF 99 BB 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000001BB99AFB4D0, 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 0x000001BB99ABA520, 16 bytes long.
 Data: <&#224;&#192;&#175; &#187;           > E0 C0 AF 99 BB 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000001BB99AFB470, 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 0x000001BB99AB9EE0, 16 bytes long.
 Data: <(&#192;&#175; &#187;           > 28 C0 AF 99 BB 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x000001BB99ABA7A0, 16 bytes long.
 Data: < &#192;&#175; &#187;           > 00 C0 AF 99 BB 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000001BB99ABA200, 16 bytes long.
 Data: <&#216;&#191;&#175; &#187;           > D8 BF AF 99 BB 01 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x000001BB99ABA660, 16 bytes long.
 Data: <&#176;&#191;&#175; &#187;           > B0 BF AF 99 BB 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x000001BB99ABA890, 16 bytes long.
 Data: < &#191;&#175; &#187;           > 88 BF AF 99 BB 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000001BB99AB9F30, 16 bytes long.
 Data: <`&#191;&#175; &#187;           > 60 BF AF 99 BB 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000001BB99ABAB10, 16 bytes long.
 Data: <pe&#171; &#187;           > 70 65 AB 99 BB 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000001BB99AB6570, 40 bytes long.
 Data: < &#171;&#171; &#187;   0 &#148;&#155;&#187;   > 10 AB AB 99 BB 01 00 00 30 1F 94 9B BB 01 00 00 
{265} normal block at 0x000001BB99AB9FD0, 16 bytes long.
 Data: <@&#191;&#175; &#187;           > 40 BF AF 99 BB 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000001BB99ABABB0, 16 bytes long.
 Data: < &#191;&#175; &#187;           > 18 BF AF 99 BB 01 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x000001BB99AFB3B0, 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 0x000001BB99AB9F80, 16 bytes long.
 Data: <&#240;&#190;&#175; &#187;           > F0 BE AF 99 BB 01 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x000001BB99AFBEF0, 992 bytes long.
 Data: < &#159;&#171; &#187;   &#176;&#179;&#175; &#187;   > 80 9F AB 99 BB 01 00 00 B0 B3 AF 99 BB 01 00 00 
{97} normal block at 0x000001BB99AB1F40, 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 0x000001BB99AB0EB0, 16 bytes long.
 Data: <&#176;j&#171; &#187;           > B0 6A AB 99 BB 01 00 00 00 00 00 00 00 00 00 00 
{95} normal block at 0x000001BB99AB6AB0, 40 bytes long.
 Data: <&#176; &#171; &#187;   @ &#171; &#187;   > B0 0E AB 99 BB 01 00 00 40 1F AB 99 BB 01 00 00 
{74} normal block at 0x000001BB99AB1360, 16 bytes long.
 Data: < &#234;i(&#247;           > 80 EA 69 28 F7 7F 00 00 00 00 00 00 00 00 00 00 
{73} normal block at 0x000001BB99AB0DC0, 16 bytes long.
 Data: <@&#233;i(&#247;           > 40 E9 69 28 F7 7F 00 00 00 00 00 00 00 00 00 00 
{72} normal block at 0x000001BB99AB18B0, 16 bytes long.
 Data: <&#248;Wf(&#247;           > F8 57 66 28 F7 7F 00 00 00 00 00 00 00 00 00 00 
{71} normal block at 0x000001BB99AB1B80, 16 bytes long.
 Data: <&#216;Wf(&#247;           > D8 57 66 28 F7 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x000001BB99AB1220, 16 bytes long.
 Data: <P f(&#247;           > 50 04 66 28 F7 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x000001BB99AB0C80, 16 bytes long.
 Data: <0 f(&#247;           > 30 04 66 28 F7 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x000001BB99AB0E60, 16 bytes long.
 Data: <&#224; f(&#247;           > E0 02 66 28 F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x000001BB99AB0FF0, 16 bytes long.
 Data: <  f(&#247;           > 10 04 66 28 F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000001BB99AB0D70, 16 bytes long.
 Data: <p f(&#247;           > 70 04 66 28 F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000001BB99AB1720, 16 bytes long.
 Data: < &#192;d(&#247;           > 18 C0 64 28 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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