Task 38660238

Name test_730-GPUGRID_TEST_ATM_2STEP_20261024-1-2-RND4773_0
Workunit 31603763
Created 24 Oct 2026, 13:51:09 UTC
Sent 24 Oct 2026, 14:01:20 UTC
Report deadline 29 Oct 2026, 14:01:20 UTC
Received 24 Oct 2026, 18:18:38 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 654886
Run time 21 min 27 sec
CPU time 19 min 17 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 720.71 MB
Peak swap size 5.42 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
18:57:03 (16884): wrapper (7.9.26016): starting
18:57:03 (16884): 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
18:57:04 (16884): Library/usr/bin/tar.exe exited; CPU time 0.000000
18:57:04 (16884): 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
19:17:44 (16884): C:/Windows/system32/cmd.exe exited; CPU time 1157.968750
19:17:44 (16884): 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: 17897399 bytes.
Dumping objects ->
{3835235} normal block at 0x0000026433124DB0, 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 0x0000026433124CD0, 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 0x0000026433125050, 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 0x0000026433124FE0, 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 0x00000264331251A0, 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 0x0000026434E3BF70, 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 0x0000026434E4EF70, 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 0x000002643311ACB0, 8 bytes long.
 Data: <  W3d   > 00 00 57 33 64 02 00 00 
{3834547} normal block at 0x0000026434E4E9F0, 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 0x000002643311A940, 8 bytes long.
 Data: <&#192;@&#236;4d   > C0 40 EC 34 64 02 00 00 
..\zip\boinc_zip.cpp(122) : {316} normal block at 0x0000026433121BB0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{301} normal block at 0x0000026433110300, 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 0x0000026433125EF0, 16 bytes long.
 Data: <&#232;f 3d           > E8 66 12 33 64 02 00 00 00 00 00 00 00 00 00 00 
{299} normal block at 0x00000264331259F0, 16 bytes long.
 Data: <&#192;f 3d           > C0 66 12 33 64 02 00 00 00 00 00 00 00 00 00 00 
{298} normal block at 0x000002643311E4E0, 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 0x00000264331255E0, 16 bytes long.
 Data: < f 3d           > 98 66 12 33 64 02 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x0000026433125AE0, 16 bytes long.
 Data: <pf 3d           > 70 66 12 33 64 02 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x0000026433125590, 16 bytes long.
 Data: <Hf 3d           > 48 66 12 33 64 02 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x0000026433125450, 16 bytes long.
 Data: < f 3d           > 20 66 12 33 64 02 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x0000026433124C60, 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 0x0000026433125540, 16 bytes long.
 Data: <&#168;&#184; 3d           > A8 B8 10 33 64 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x000002643311EF60, 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 0x0000026433125A90, 16 bytes long.
 Data: < &#184; 3d           > 80 B8 10 33 64 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x0000026433126350, 16 bytes long.
 Data: <X&#184; 3d           > 58 B8 10 33 64 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x00000264331254A0, 16 bytes long.
 Data: <0&#184; 3d           > 30 B8 10 33 64 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x0000026433125680, 16 bytes long.
 Data: < &#184; 3d           > 08 B8 10 33 64 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x0000026433125E50, 16 bytes long.
 Data: <&#224;&#183; 3d           > E0 B7 10 33 64 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x00000264331262B0, 16 bytes long.
 Data: <&#184;&#183; 3d           > B8 B7 10 33 64 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000002643311EDE0, 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 0x0000026433125400, 16 bytes long.
 Data: < &#183; 3d           > 90 B7 10 33 64 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000002643310B790, 320 bytes long.
 Data: < T 3d   &#224;&#237; 3d   > 00 54 12 33 64 02 00 00 E0 ED 11 33 64 02 00 00 
{280} normal block at 0x0000026433125CC0, 16 bytes long.
 Data: < f 3d           > 00 66 12 33 64 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x0000026433125C70, 16 bytes long.
 Data: <&#216;e 3d           > D8 65 12 33 64 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x000002643311E960, 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 0x0000026433125C20, 16 bytes long.
 Data: <&#176;e 3d           > B0 65 12 33 64 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x000002643311ED80, 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 0x0000026433126120, 16 bytes long.
 Data: <&#248;d 3d           > F8 64 12 33 64 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x0000026433125860, 16 bytes long.
 Data: <&#208;d 3d           > D0 64 12 33 64 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x0000026433125DB0, 16 bytes long.
 Data: <&#168;d 3d           > A8 64 12 33 64 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x0000026433125EA0, 16 bytes long.
 Data: < d 3d           > 80 64 12 33 64 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x0000026433126080, 16 bytes long.
 Data: <Xd 3d           > 58 64 12 33 64 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x00000264331260D0, 16 bytes long.
 Data: <0d 3d           > 30 64 12 33 64 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x0000026433125E00, 16 bytes long.
 Data: < R 3d           > 80 52 12 33 64 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x0000026433125280, 40 bytes long.
 Data: < ^ 3d   p&#191;&#227;4d   > 00 5E 12 33 64 02 00 00 70 BF E3 34 64 02 00 00 
{266} normal block at 0x0000026433126030, 16 bytes long.
 Data: < d 3d           > 10 64 12 33 64 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x0000026433126260, 16 bytes long.
 Data: <&#232;c 3d           > E8 63 12 33 64 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000002643311EFC0, 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 0x0000026433126210, 16 bytes long.
 Data: <&#192;c 3d           > C0 63 12 33 64 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x00000264331263C0, 992 bytes long.
 Data: < b 3d   &#192;&#239; 3d   > 10 62 12 33 64 02 00 00 C0 EF 11 33 64 02 00 00 
{98} normal block at 0x000002643311E7E0, 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 0x000002643311A710, 16 bytes long.
 Data: <P&#214; 3d           > 50 D6 10 33 64 02 00 00 00 00 00 00 00 00 00 00 
{96} normal block at 0x000002643310D650, 40 bytes long.
 Data: < &#167; 3d   &#224;&#231; 3d   > 10 A7 11 33 64 02 00 00 E0 E7 11 33 64 02 00 00 
{75} normal block at 0x000002643311ADA0, 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 0x000002643311A3A0, 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 0x000002643311AC10, 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 0x000002643311B070, 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 0x000002643311A210, 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 0x000002643311A350, 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 0x000002643311A6C0, 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 0x000002643311A440, 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 0x000002643311A760, 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 0x000002643311AD50, 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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