Task 38656350

Name test_201-GPUGRID_TEST_ATM_2STEP_20261024-0-2-RND7160_0
Workunit 31600083
Created 24 Oct 2026, 10:32:32 UTC
Sent 24 Oct 2026, 10:34:42 UTC
Report deadline 29 Oct 2026, 10:34:42 UTC
Received 24 Oct 2026, 12:04:43 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 654886
Run time 19 min 6 sec
CPU time 17 min 30 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 30,871.08 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 717.43 MB
Peak swap size 5.42 GB
Peak disk usage 2.97 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
12:46:01 (15940): wrapper (7.9.26016): starting
12:46:01 (15940): 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
12:46:02 (15940): Library/usr/bin/tar.exe exited; CPU time 0.000000
12:46:02 (15940): 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
13:04:13 (15940): C:/Windows/system32/cmd.exe exited; CPU time 1050.593750
13:04:13 (15940): called boinc_finish(0)
0 bytes in 0 Free Blocks.
460 bytes in 8 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: 15743527 bytes.
Dumping objects ->
{3835235} normal block at 0x000002736B0C4B20, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835224} normal block at 0x000002736B0C4AB0, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835213} normal block at 0x000002736B0C46C0, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835202} normal block at 0x000002736B0C4A40, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835191} normal block at 0x000002736B0C4810, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835160} normal block at 0x000002736CEFC480, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835149} normal block at 0x000002736CF0E0C0, 102 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
..\api\boinc_api.cpp(309) : {3835146} normal block at 0x000002736B0BA930, 8 bytes long.
 Data: <  \ks   > 00 00 5C 6B 73 02 00 00 
{3834547} normal block at 0x000002736CF0ED20, 102 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833969} normal block at 0x000002736B0BA6B0, 8 bytes long.
 Data: < 6&#245;ls   > 80 36 F5 6C 73 02 00 00 
..\zip\boinc_zip.cpp(122) : {316} normal block at 0x000002736B0C0400, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{301} normal block at 0x000002736B0B59E0, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{300} normal block at 0x000002736B0C4F50, 16 bytes long.
 Data: <Ha ks           > 48 61 0C 6B 73 02 00 00 00 00 00 00 00 00 00 00 
{299} normal block at 0x000002736B0C5D10, 16 bytes long.
 Data: < a ks           > 20 61 0C 6B 73 02 00 00 00 00 00 00 00 00 00 00 
{298} normal block at 0x000002736B0BEA10, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{297} normal block at 0x000002736B0C5AE0, 16 bytes long.
 Data: <&#248;` ks           > F8 60 0C 6B 73 02 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x000002736B0C5180, 16 bytes long.
 Data: <&#208;` ks           > D0 60 0C 6B 73 02 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x000002736B0C5B80, 16 bytes long.
 Data: <&#168;` ks           > A8 60 0C 6B 73 02 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x000002736B0C5540, 16 bytes long.
 Data: < ` ks           > 80 60 0C 6B 73 02 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x000002736B0C4730, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{292} normal block at 0x000002736B0C4FF0, 16 bytes long.
 Data: <&#232;D ks           > E8 44 0C 6B 73 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x000002736B0BE950, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{290} normal block at 0x000002736B0C5360, 16 bytes long.
 Data: <&#192;D ks           > C0 44 0C 6B 73 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x000002736B0C5B30, 16 bytes long.
 Data: < D ks           > 98 44 0C 6B 73 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x000002736B0C56D0, 16 bytes long.
 Data: <pD ks           > 70 44 0C 6B 73 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x000002736B0C5400, 16 bytes long.
 Data: <HD ks           > 48 44 0C 6B 73 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x000002736B0C4EB0, 16 bytes long.
 Data: < D ks           > 20 44 0C 6B 73 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000002736B0C5A90, 16 bytes long.
 Data: <&#248;C ks           > F8 43 0C 6B 73 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000002736B0BE770, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{282} normal block at 0x000002736B0C5A40, 16 bytes long.
 Data: <&#208;C ks           > D0 43 0C 6B 73 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000002736B0C43D0, 320 bytes long.
 Data: <@Z ks   p&#231; ks   > 40 5A 0C 6B 73 02 00 00 70 E7 0B 6B 73 02 00 00 
{280} normal block at 0x000002736B0C59F0, 16 bytes long.
 Data: <`` ks           > 60 60 0C 6B 73 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000002736B0C54F0, 16 bytes long.
 Data: <8` ks           > 38 60 0C 6B 73 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x000002736B0BE6B0, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{277} normal block at 0x000002736B0C4F00, 16 bytes long.
 Data: < ` ks           > 10 60 0C 6B 73 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x000002736B0BDF30, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{275} normal block at 0x000002736B0C53B0, 16 bytes long.
 Data: <X_ ks           > 58 5F 0C 6B 73 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x000002736B0C5450, 16 bytes long.
 Data: <0_ ks           > 30 5F 0C 6B 73 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x000002736B0C5950, 16 bytes long.
 Data: < _ ks           > 08 5F 0C 6B 73 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000002736B0C5680, 16 bytes long.
 Data: <&#224;^ ks           > E0 5E 0C 6B 73 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x000002736B0C5810, 16 bytes long.
 Data: <&#184;^ ks           > B8 5E 0C 6B 73 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x000002736B0C58B0, 16 bytes long.
 Data: < ^ ks           > 90 5E 0C 6B 73 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000002736B0C5310, 16 bytes long.
 Data: <&#224;L ks           > E0 4C 0C 6B 73 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000002736B0C4CE0, 40 bytes long.
 Data: < S ks    &#196;&#239;ls   > 10 53 0C 6B 73 02 00 00 80 C4 EF 6C 73 02 00 00 
{266} normal block at 0x000002736B0C50E0, 16 bytes long.
 Data: <p^ ks           > 70 5E 0C 6B 73 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x000002736B0C5DB0, 16 bytes long.
 Data: <H^ ks           > 48 5E 0C 6B 73 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000002736B0BE290, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{263} normal block at 0x000002736B0C52C0, 16 bytes long.
 Data: < ^ ks           > 20 5E 0C 6B 73 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x000002736B0C5E20, 992 bytes long.
 Data: <&#192;R ks    &#226; ks   > C0 52 0C 6B 73 02 00 00 90 E2 0B 6B 73 02 00 00 
{98} normal block at 0x000002736B0BDED0, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{97} normal block at 0x000002736B0B9C10, 16 bytes long.
 Data: <P&#214; ks           > 50 D6 0A 6B 73 02 00 00 00 00 00 00 00 00 00 00 
{96} normal block at 0x000002736B0AD650, 40 bytes long.
 Data: < &#156; ks   &#208;&#222; ks   > 10 9C 0B 6B 73 02 00 00 D0 DE 0B 6B 73 02 00 00 
{75} normal block at 0x000002736B0B9DA0, 16 bytes long.
 Data: < &#234;&#195;i&#247;           > 80 EA C3 69 F7 7F 00 00 00 00 00 00 00 00 00 00 
{74} normal block at 0x000002736B0BA660, 16 bytes long.
 Data: <@&#233;&#195;i&#247;           > 40 E9 C3 69 F7 7F 00 00 00 00 00 00 00 00 00 00 
{73} normal block at 0x000002736B0BAA20, 16 bytes long.
 Data: <&#248;W&#192;i&#247;           > F8 57 C0 69 F7 7F 00 00 00 00 00 00 00 00 00 00 
{72} normal block at 0x000002736B0BA890, 16 bytes long.
 Data: <&#216;W&#192;i&#247;           > D8 57 C0 69 F7 7F 00 00 00 00 00 00 00 00 00 00 
{71} normal block at 0x000002736B0B9F80, 16 bytes long.
 Data: <P &#192;i&#247;           > 50 04 C0 69 F7 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x000002736B0BA430, 16 bytes long.
 Data: <0 &#192;i&#247;           > 30 04 C0 69 F7 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x000002736B0BA9D0, 16 bytes long.
 Data: <&#224; &#192;i&#247;           > E0 02 C0 69 F7 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x000002736B0BA0C0, 16 bytes long.
 Data: <  &#192;i&#247;           > 10 04 C0 69 F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x000002736B0B9C60, 16 bytes long.
 Data: <p &#192;i&#247;           > 70 04 C0 69 F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000002736B0BAAC0, 16 bytes long.
 Data: < &#192;&#190;i&#247;           > 18 C0 BE 69 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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