Task 38680514

Name test_556-GPUGRID_TEST_ATM_40STEP_20261023-35-40-RND0069_0
Workunit 31622232
Created 27 Oct 2026, 0:14:17 UTC
Sent 27 Oct 2026, 0:14:20 UTC
Report deadline 1 Nov 2026, 0:14:20 UTC
Received 27 Oct 2026, 0:37:09 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 652945
Run time 22 min 21 sec
CPU time 20 min 46 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 747.94 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>
01:15:19 (8944): wrapper (7.9.26016): starting
01:15:19 (8944): 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
01:15:20 (8944): Library/usr/bin/tar.exe exited; CPU time 0.015625
01:15:20 (8944): 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\9\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\9\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
01:36:48 (8944): C:/Windows/system32/cmd.exe exited; CPU time 1246.937500
01:36:48 (8944): 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: 27046915 bytes.
Dumping objects ->
{3835492} normal block at 0x000001FE1DB61740, 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 0x000001FE1DB616D0, 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 0x000001FE1DB61660, 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 0x000001FE1DB62310, 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 0x000001FE1DB619E0, 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 0x000001FE1FA7F730, 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 0x000001FE1DB31110, 8 bytes long.
 Data: <  &#165; &#254;   > 00 00 A5 1D FE 01 00 00 
{3833967} normal block at 0x000001FE1DB30EE0, 8 bytes long.
 Data: <&#208;*&#178; &#254;   > D0 2A B2 1D FE 01 00 00 
..\zip\boinc_zip.cpp(122) : {315} normal block at 0x000001FE1DB2C4D0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{300} normal block at 0x000001FE1DB25F10, 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 0x000001FE1DB3E440, 16 bytes long.
 Data: <&#184;&#243;&#179; &#254;           > B8 F3 B3 1D FE 01 00 00 00 00 00 00 00 00 00 00 
{298} normal block at 0x000001FE1DB3E120, 16 bytes long.
 Data: < &#243;&#179; &#254;           > 90 F3 B3 1D FE 01 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x000001FE1DB3A710, 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 0x000001FE1DB3E3A0, 16 bytes long.
 Data: <h&#243;&#179; &#254;           > 68 F3 B3 1D FE 01 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x000001FE1DB3E6C0, 16 bytes long.
 Data: <@&#243;&#179; &#254;           > 40 F3 B3 1D FE 01 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x000001FE1DB3E8F0, 16 bytes long.
 Data: < &#243;&#179; &#254;           > 18 F3 B3 1D FE 01 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x000001FE1DB3E1C0, 16 bytes long.
 Data: <&#240;&#242;&#179; &#254;           > F0 F2 B3 1D FE 01 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x000001FE1DB36260, 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 0x000001FE1DB3E0D0, 16 bytes long.
 Data: <x&#154;&#179; &#254;           > 78 9A B3 1D FE 01 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x000001FE1DB3AB30, 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 0x000001FE1DB3EC60, 16 bytes long.
 Data: <P&#154;&#179; &#254;           > 50 9A B3 1D FE 01 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x000001FE1DB3EC10, 16 bytes long.
 Data: <(&#154;&#179; &#254;           > 28 9A B3 1D FE 01 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x000001FE1DB3E580, 16 bytes long.
 Data: < &#154;&#179; &#254;           > 00 9A B3 1D FE 01 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x000001FE1DB3E4E0, 16 bytes long.
 Data: <&#216; &#179; &#254;           > D8 99 B3 1D FE 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000001FE1DB3EEE0, 16 bytes long.
 Data: <&#176; &#179; &#254;           > B0 99 B3 1D FE 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000001FE1DB3E760, 16 bytes long.
 Data: <  &#179; &#254;           > 88 99 B3 1D FE 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000001FE1DB3ADD0, 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 0x000001FE1DB3E710, 16 bytes long.
 Data: <` &#179; &#254;           > 60 99 B3 1D FE 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000001FE1DB39960, 320 bytes long.
 Data: < &#231;&#179; &#254;   &#208;&#173;&#179; &#254;   > 10 E7 B3 1D FE 01 00 00 D0 AD B3 1D FE 01 00 00 
{279} normal block at 0x000001FE1DB3E350, 16 bytes long.
 Data: <&#208;&#242;&#179; &#254;           > D0 F2 B3 1D FE 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x000001FE1DB3E300, 16 bytes long.
 Data: <&#168;&#242;&#179; &#254;           > A8 F2 B3 1D FE 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000001FE1DB3A470, 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 0x000001FE1DB3E8A0, 16 bytes long.
 Data: < &#242;&#179; &#254;           > 80 F2 B3 1D FE 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000001FE1DB3A5F0, 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 0x000001FE1DB3EE90, 16 bytes long.
 Data: <&#200;&#241;&#179; &#254;           > C8 F1 B3 1D FE 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x000001FE1DB3EE40, 16 bytes long.
 Data: <&#160;&#241;&#179; &#254;           > A0 F1 B3 1D FE 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000001FE1DB3E850, 16 bytes long.
 Data: <x&#241;&#179; &#254;           > 78 F1 B3 1D FE 01 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x000001FE1DB3E3F0, 16 bytes long.
 Data: <P&#241;&#179; &#254;           > 50 F1 B3 1D FE 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x000001FE1DB3E530, 16 bytes long.
 Data: <(&#241;&#179; &#254;           > 28 F1 B3 1D FE 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000001FE1DB3EF30, 16 bytes long.
 Data: < &#241;&#179; &#254;           > 00 F1 B3 1D FE 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000001FE1DB3EB20, 16 bytes long.
 Data: < ^&#179; &#254;           > 00 5E B3 1D FE 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000001FE1DB35E00, 40 bytes long.
 Data: < &#235;&#179; &#254;   0&#247;&#167; &#254;   > 20 EB B3 1D FE 01 00 00 30 F7 A7 1F FE 01 00 00 
{265} normal block at 0x000001FE1DB3E670, 16 bytes long.
 Data: <&#224;&#240;&#179; &#254;           > E0 F0 B3 1D FE 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000001FE1DB3E260, 16 bytes long.
 Data: <&#184;&#240;&#179; &#254;           > B8 F0 B3 1D FE 01 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x000001FE1DB3A3B0, 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 0x000001FE1DB3EAD0, 16 bytes long.
 Data: < &#240;&#179; &#254;           > 90 F0 B3 1D FE 01 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x000001FE1DB3F090, 992 bytes long.
 Data: <&#208;&#234;&#179; &#254;   &#176;&#163;&#179; &#254;   > D0 EA B3 1D FE 01 00 00 B0 A3 B3 1D FE 01 00 00 
{97} normal block at 0x000001FE1DB3A9B0, 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 0x000001FE1DB313E0, 16 bytes long.
 Data: < a&#179; &#254;           > 80 61 B3 1D FE 01 00 00 00 00 00 00 00 00 00 00 
{95} normal block at 0x000001FE1DB36180, 40 bytes long.
 Data: <&#224; &#179; &#254;   &#176;&#169;&#179; &#254;   > E0 13 B3 1D FE 01 00 00 B0 A9 B3 1D FE 01 00 00 
{74} normal block at 0x000001FE1DB31C00, 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 0x000001FE1DB316B0, 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 0x000001FE1DB31020, 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 0x000001FE1DB31930, 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 0x000001FE1DB317F0, 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 0x000001FE1DB31340, 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 0x000001FE1DB31890, 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 0x000001FE1DB318E0, 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 0x000001FE1DB31700, 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 0x000001FE1DB31480, 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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