Task 38678622

Name test_993-GPUGRID_TEST_ATM_40STEP_20261023-30-40-RND6641_1
Workunit 31620343
Created 26 Oct 2026, 17:59:12 UTC
Sent 26 Oct 2026, 17:59:16 UTC
Report deadline 31 Oct 2026, 17:59:16 UTC
Received 26 Oct 2026, 18:28:50 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 605313
Run time 24 min 26 sec
CPU time 22 min 12 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 11,247.14 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 726.05 MB
Peak swap size 9.79 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.8</core_client_version>
<![CDATA[
<stderr_txt>
13:10:22 (29900): wrapper (7.9.26016): starting
13:10:22 (29900): 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
13:10:23 (29900): Library/usr/bin/tar.exe exited; CPU time 0.000000
13:10:23 (29900): 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
13:33:56 (29900): C:/Windows/system32/cmd.exe exited; CPU time 1332.265625
13:33:56 (29900): 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: 28634327 bytes.
Dumping objects ->
{3835221} normal block at 0x000001630DEB9C30, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835210} normal block at 0x000001630DEBA800, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835199} normal block at 0x000001630DEB9E60, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835188} normal block at 0x000001630DEBA8E0, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835177} normal block at 0x000001630DEBA250, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835146} normal block at 0x000001630FBEB200, 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) : {3835133} normal block at 0x000001630DE8B150, 8 bytes long.
 Data: <  &#230; c   > 00 00 E6 0D 63 01 00 00 
{3833975} normal block at 0x000001630DE8BB00, 8 bytes long.
 Data: <`&#188;&#235; c   > 60 BC EB 0D 63 01 00 00 
..\zip\boinc_zip.cpp(122) : {319} normal block at 0x000001630DE92B10, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{304} normal block at 0x000001630DE87170, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{303} normal block at 0x000001630DE96CC0, 16 bytes long.
 Data: < y&#233; c           > 18 79 E9 0D 63 01 00 00 00 00 00 00 00 00 00 00 
{302} normal block at 0x000001630DE97260, 16 bytes long.
 Data: <&#240;x&#233; c           > F0 78 E9 0D 63 01 00 00 00 00 00 00 00 00 00 00 
{301} normal block at 0x000001630DE8FB20, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{300} normal block at 0x000001630DE97210, 16 bytes long.
 Data: <&#200;x&#233; c           > C8 78 E9 0D 63 01 00 00 00 00 00 00 00 00 00 00 
{299} normal block at 0x000001630DE96C20, 16 bytes long.
 Data: <&#160;x&#233; c           > A0 78 E9 0D 63 01 00 00 00 00 00 00 00 00 00 00 
{298} normal block at 0x000001630DE96630, 16 bytes long.
 Data: <xx&#233; c           > 78 78 E9 0D 63 01 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x000001630DE96770, 16 bytes long.
 Data: <Px&#233; c           > 50 78 E9 0D 63 01 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x000001630DE8FE10, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{295} normal block at 0x000001630DE96F40, 16 bytes long.
 Data: <H&#253;&#231; c           > 48 FD E7 0D 63 01 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x000001630DE8FD00, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{293} normal block at 0x000001630DE96E00, 16 bytes long.
 Data: < &#253;&#231; c           > 20 FD E7 0D 63 01 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x000001630DE96C70, 16 bytes long.
 Data: <&#248;&#252;&#231; c           > F8 FC E7 0D 63 01 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x000001630DE96DB0, 16 bytes long.
 Data: <&#208;&#252;&#231; c           > D0 FC E7 0D 63 01 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x000001630DE96B80, 16 bytes long.
 Data: <&#168;&#252;&#231; c           > A8 FC E7 0D 63 01 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x000001630DE96D60, 16 bytes long.
 Data: < &#252;&#231; c           > 80 FC E7 0D 63 01 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x000001630DE968B0, 16 bytes long.
 Data: <X&#252;&#231; c           > 58 FC E7 0D 63 01 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x000001630DE8F640, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{285} normal block at 0x000001630DE96B30, 16 bytes long.
 Data: <0&#252;&#231; c           > 30 FC E7 0D 63 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000001630DE7FC30, 320 bytes long.
 Data: <0k&#233; c   @&#246;&#232; c   > 30 6B E9 0D 63 01 00 00 40 F6 E8 0D 63 01 00 00 
{283} normal block at 0x000001630DE96680, 16 bytes long.
 Data: <0x&#233; c           > 30 78 E9 0D 63 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000001630DE973F0, 16 bytes long.
 Data: < x&#233; c           > 08 78 E9 0D 63 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000001630DE8F400, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{280} normal block at 0x000001630DE971C0, 16 bytes long.
 Data: <&#224;w&#233; c           > E0 77 E9 0D 63 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000001630DE8F460, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{278} normal block at 0x000001630DE96AE0, 16 bytes long.
 Data: <(w&#233; c           > 28 77 E9 0D 63 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000001630DE96A40, 16 bytes long.
 Data: < w&#233; c           > 00 77 E9 0D 63 01 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x000001630DE96FE0, 16 bytes long.
 Data: <&#216;v&#233; c           > D8 76 E9 0D 63 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000001630DE969F0, 16 bytes long.
 Data: <&#176;v&#233; c           > B0 76 E9 0D 63 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x000001630DE96A90, 16 bytes long.
 Data: < v&#233; c           > 88 76 E9 0D 63 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x000001630DE972B0, 16 bytes long.
 Data: <`v&#233; c           > 60 76 E9 0D 63 01 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x000001630DE97580, 16 bytes long.
 Data: <  &#233; c           > 10 05 E9 0D 63 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x000001630DE90510, 40 bytes long.
 Data: < u&#233; c    &#178;&#190; c   > 80 75 E9 0D 63 01 00 00 00 B2 BE 0F 63 01 00 00 
{269} normal block at 0x000001630DE96860, 16 bytes long.
 Data: <@v&#233; c           > 40 76 E9 0D 63 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000001630DE97350, 16 bytes long.
 Data: < v&#233; c           > 18 76 E9 0D 63 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000001630DE8F880, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{266} normal block at 0x000001630DE96F90, 16 bytes long.
 Data: <&#240;u&#233; c           > F0 75 E9 0D 63 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x000001630DE975F0, 992 bytes long.
 Data: < o&#233; c    &#248;&#232; c   > 90 6F E9 0D 63 01 00 00 80 F8 E8 0D 63 01 00 00 
{101} normal block at 0x000001630DE8F1C0, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{100} normal block at 0x000001630DE8B470, 16 bytes long.
 Data: <&#240;&#254;&#232; c           > F0 FE E8 0D 63 01 00 00 00 00 00 00 00 00 00 00 
{99} normal block at 0x000001630DE8FEF0, 40 bytes long.
 Data: <p&#180;&#232; c   &#192;&#241;&#232; c   > 70 B4 E8 0D 63 01 00 00 C0 F1 E8 0D 63 01 00 00 
{78} normal block at 0x000001630DE8B8D0, 16 bytes long.
 Data: < &#234;&#178;&#243;&#247;           > 80 EA B2 F3 F7 7F 00 00 00 00 00 00 00 00 00 00 
{77} normal block at 0x000001630DE8B290, 16 bytes long.
 Data: <@&#233;&#178;&#243;&#247;           > 40 E9 B2 F3 F7 7F 00 00 00 00 00 00 00 00 00 00 
{76} normal block at 0x000001630DE8ADE0, 16 bytes long.
 Data: <&#248;W&#175;&#243;&#247;           > F8 57 AF F3 F7 7F 00 00 00 00 00 00 00 00 00 00 
{75} normal block at 0x000001630DE8AF20, 16 bytes long.
 Data: <&#216;W&#175;&#243;&#247;           > D8 57 AF F3 F7 7F 00 00 00 00 00 00 00 00 00 00 
{74} normal block at 0x000001630DE8BCE0, 16 bytes long.
 Data: <P &#175;&#243;&#247;           > 50 04 AF F3 F7 7F 00 00 00 00 00 00 00 00 00 00 
{73} normal block at 0x000001630DE8B6F0, 16 bytes long.
 Data: <0 &#175;&#243;&#247;           > 30 04 AF F3 F7 7F 00 00 00 00 00 00 00 00 00 00 
{72} normal block at 0x000001630DE8BC90, 16 bytes long.
 Data: <&#224; &#175;&#243;&#247;           > E0 02 AF F3 F7 7F 00 00 00 00 00 00 00 00 00 00 
{71} normal block at 0x000001630DE8B5B0, 16 bytes long.
 Data: <  &#175;&#243;&#247;           > 10 04 AF F3 F7 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x000001630DE8B830, 16 bytes long.
 Data: <p &#175;&#243;&#247;           > 70 04 AF F3 F7 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x000001630DE8B420, 16 bytes long.
 Data: < &#192;&#173;&#243;&#247;           > 18 C0 AD F3 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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