Task 38679833

Name test_242-GPUGRID_TEST_ATM_40STEP_20261023-24-40-RND0592_0
Workunit 31621593
Created 26 Oct 2026, 21:56:41 UTC
Sent 26 Oct 2026, 21:56:47 UTC
Report deadline 31 Oct 2026, 21:56:47 UTC
Received 27 Oct 2026, 6:31:04 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 654638
Run time 52 min 29 sec
CPU time 46 min 50 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 19,725.86 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 732.01 MB
Peak swap size 5.43 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
06:39:41 (2820): wrapper (7.9.26016): starting
06:39:41 (2820): 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
06:39:44 (2820): Library/usr/bin/tar.exe exited; CPU time 0.015625
06:39:44 (2820): 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\27\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\27\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: Exiting with failure status due to previous errors
07:29:59 (2820): C:/Windows/system32/cmd.exe exited; CPU time 2810.875000
07:29:59 (2820): 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: 71397323 bytes.
Dumping objects ->
{3835437} normal block at 0x0000019DE083B2E0, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835426} normal block at 0x0000019DE083A630, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835415} normal block at 0x0000019DE083A9B0, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835404} normal block at 0x0000019DE08157A0, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835393} normal block at 0x0000019DE0815730, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835362} normal block at 0x0000019DE24D7C20, 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) : {3835349} normal block at 0x0000019DE080E150, 8 bytes long.
 Data: <  &#201;&#224;    > 00 00 C9 E0 9D 01 00 00 
{3833967} normal block at 0x0000019DE080E560, 8 bytes long.
 Data: <&#208;HS&#226;    > D0 48 53 E2 9D 01 00 00 
..\zip\boinc_zip.cpp(122) : {315} normal block at 0x0000019DE0812080, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{300} normal block at 0x0000019DE08075C0, 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 0x0000019DE08164F0, 16 bytes long.
 Data: <8r &#224;            > 38 72 81 E0 9D 01 00 00 00 00 00 00 00 00 00 00 
{298} normal block at 0x0000019DE0816EA0, 16 bytes long.
 Data: < r &#224;            > 10 72 81 E0 9D 01 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x0000019DE080FC10, 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 0x0000019DE0816680, 16 bytes long.
 Data: <&#232;q &#224;            > E8 71 81 E0 9D 01 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x0000019DE0816900, 16 bytes long.
 Data: <&#192;q &#224;            > C0 71 81 E0 9D 01 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x0000019DE08161D0, 16 bytes long.
 Data: < q &#224;            > 98 71 81 E0 9D 01 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x0000019DE0816630, 16 bytes long.
 Data: <pq &#224;            > 70 71 81 E0 9D 01 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x0000019DE0815340, 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 0x0000019DE0816720, 16 bytes long.
 Data: < &#246; &#224;            > 18 F6 7F E0 9D 01 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x0000019DE08103F0, 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 0x0000019DE0815FF0, 16 bytes long.
 Data: <&#240;&#245; &#224;            > F0 F5 7F E0 9D 01 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x0000019DE0816810, 16 bytes long.
 Data: <&#200;&#245; &#224;            > C8 F5 7F E0 9D 01 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x0000019DE0816540, 16 bytes long.
 Data: <&#160;&#245; &#224;            > A0 F5 7F E0 9D 01 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x0000019DE08160E0, 16 bytes long.
 Data: <x&#245; &#224;            > 78 F5 7F E0 9D 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x0000019DE0816180, 16 bytes long.
 Data: <P&#245; &#224;            > 50 F5 7F E0 9D 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x0000019DE0816E00, 16 bytes long.
 Data: <(&#245; &#224;            > 28 F5 7F E0 9D 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x0000019DE080FBB0, 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 0x0000019DE0816770, 16 bytes long.
 Data: < &#245; &#224;            > 00 F5 7F E0 9D 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x0000019DE07FF500, 320 bytes long.
 Data: <pg &#224;    &#176;&#251; &#224;    > 70 67 81 E0 9D 01 00 00 B0 FB 80 E0 9D 01 00 00 
{279} normal block at 0x0000019DE0816D60, 16 bytes long.
 Data: <Pq &#224;            > 50 71 81 E0 9D 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x0000019DE0816AE0, 16 bytes long.
 Data: <(q &#224;            > 28 71 81 E0 9D 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x0000019DE0810510, 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 0x0000019DE08165E0, 16 bytes long.
 Data: < q &#224;            > 00 71 81 E0 9D 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x0000019DE080FFD0, 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 0x0000019DE0816C70, 16 bytes long.
 Data: <Hp &#224;            > 48 70 81 E0 9D 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x0000019DE08164A0, 16 bytes long.
 Data: < p &#224;            > 20 70 81 E0 9D 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x0000019DE08167C0, 16 bytes long.
 Data: <&#248;o &#224;            > F8 6F 81 E0 9D 01 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x0000019DE0816450, 16 bytes long.
 Data: <&#208;o &#224;            > D0 6F 81 E0 9D 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x0000019DE0816270, 16 bytes long.
 Data: <&#168;o &#224;            > A8 6F 81 E0 9D 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x0000019DE0815FA0, 16 bytes long.
 Data: < o &#224;            > 80 6F 81 E0 9D 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x0000019DE0816D10, 16 bytes long.
 Data: < T &#224;            > 20 54 81 E0 9D 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x0000019DE0815420, 40 bytes long.
 Data: < m &#224;     |M&#226;    > 10 6D 81 E0 9D 01 00 00 20 7C 4D E2 9D 01 00 00 
{265} normal block at 0x0000019DE0816360, 16 bytes long.
 Data: <`o &#224;            > 60 6F 81 E0 9D 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x0000019DE0816400, 16 bytes long.
 Data: <8o &#224;            > 38 6F 81 E0 9D 01 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x0000019DE080FD30, 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 0x0000019DE0816A90, 16 bytes long.
 Data: < o &#224;            > 10 6F 81 E0 9D 01 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x0000019DE0816F10, 992 bytes long.
 Data: < j &#224;    0&#253; &#224;    > 90 6A 81 E0 9D 01 00 00 30 FD 80 E0 9D 01 00 00 
{97} normal block at 0x0000019DE0810030, 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 0x0000019DE080DBB0, 16 bytes long.
 Data: <`Y &#224;            > 60 59 81 E0 9D 01 00 00 00 00 00 00 00 00 00 00 
{95} normal block at 0x0000019DE0815960, 40 bytes long.
 Data: <&#176;&#219; &#224;    0  &#224;    > B0 DB 80 E0 9D 01 00 00 30 00 81 E0 9D 01 00 00 
{74} normal block at 0x0000019DE080DCA0, 16 bytes long.
 Data: < &#234;mj&#247;           > 80 EA 6D 6A F7 7F 00 00 00 00 00 00 00 00 00 00 
{73} normal block at 0x0000019DE080D8E0, 16 bytes long.
 Data: <@&#233;mj&#247;           > 40 E9 6D 6A F7 7F 00 00 00 00 00 00 00 00 00 00 
{72} normal block at 0x0000019DE080DC00, 16 bytes long.
 Data: <&#248;Wjj&#247;           > F8 57 6A 6A F7 7F 00 00 00 00 00 00 00 00 00 00 
{71} normal block at 0x0000019DE080DFC0, 16 bytes long.
 Data: <&#216;Wjj&#247;           > D8 57 6A 6A F7 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x0000019DE080E290, 16 bytes long.
 Data: <P jj&#247;           > 50 04 6A 6A F7 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x0000019DE080DB60, 16 bytes long.
 Data: <0 jj&#247;           > 30 04 6A 6A F7 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x0000019DE080DF70, 16 bytes long.
 Data: <&#224; jj&#247;           > E0 02 6A 6A F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x0000019DE080D890, 16 bytes long.
 Data: <  jj&#247;           > 10 04 6A 6A F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x0000019DE080E060, 16 bytes long.
 Data: <p jj&#247;           > 70 04 6A 6A F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x0000019DE080E470, 16 bytes long.
 Data: < &#192;hj&#247;           > 18 C0 68 6A F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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