Task 38677711

Name test_290-GPUGRID_TEST_ATM_40STEP_20261023-29-40-RND6659_0
Workunit 31619570
Created 26 Oct 2026, 15:10:53 UTC
Sent 26 Oct 2026, 15:10:57 UTC
Report deadline 31 Oct 2026, 15:10:57 UTC
Received 26 Oct 2026, 16:42:17 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 651032
Run time 1 hours 30 min 41 sec
CPU time 1 hours 16 min 39 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 2,503.42 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 706.76 MB
Peak swap size 6.72 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
16:13:35 (23864): wrapper (7.9.26016): starting
16:13:35 (23864): 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
16:13:38 (23864): Library/usr/bin/tar.exe exited; CPU time 0.000000
16:13:38 (23864): 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 'D:\BOINC\slots\16\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 'D:\BOINC\slots\16\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
17:41:49 (23864): C:/Windows/system32/cmd.exe exited; CPU time 4599.031250
17:41:49 (23864): called boinc_finish(0)
0 bytes in 0 Free Blocks.
456 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: 128772489 bytes.
Dumping objects ->
{3835538} normal block at 0x00000167A3FB7A60, 48 bytes long.
 Data: <PATH=D:\BOINC\sl> 50 41 54 48 3D 44 3A 5C 42 4F 49 4E 43 5C 73 6C 
{3835527} normal block at 0x00000167A5D37730, 32 bytes long.
 Data: <HOME=D:\BOINC\sl> 48 4F 4D 45 3D 44 3A 5C 42 4F 49 4E 43 5C 73 6C 
{3835516} normal block at 0x00000167A5D38210, 32 bytes long.
 Data: <TMP=D:\BOINC\slo> 54 4D 50 3D 44 3A 5C 42 4F 49 4E 43 5C 73 6C 6F 
{3835505} normal block at 0x00000167A5D36F50, 32 bytes long.
 Data: <TEMP=D:\BOINC\sl> 54 45 4D 50 3D 44 3A 5C 42 4F 49 4E 43 5C 73 6C 
{3835494} normal block at 0x00000167A5D36EF0, 32 bytes long.
 Data: <TMPDIR=D:\BOINC\> 54 4D 50 44 49 52 3D 44 3A 5C 42 4F 49 4E 43 5C 
{3835463} normal block at 0x00000167A3FB79F0, 48 bytes long.
 Data: <PATH=D:\BOINC\sl> 50 41 54 48 3D 44 3A 5C 42 4F 49 4E 43 5C 73 6C 
{3835452} normal block at 0x00000167A401BDA0, 140 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) : {3835449} normal block at 0x00000167A3FAE7F0, 8 bytes long.
 Data: <  F&#164;g   > 00 00 46 A4 67 01 00 00 
{3834706} normal block at 0x00000167A401BC00, 140 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833971} normal block at 0x00000167A3FAEAC0, 8 bytes long.
 Data: <&#176;t&#212;&#165;g   > B0 74 D4 A5 67 01 00 00 
..\zip\boinc_zip.cpp(122) : {317} normal block at 0x00000167A3FAF2B0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{302} normal block at 0x00000167A3FA73C0, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{301} normal block at 0x00000167A3FB6610, 16 bytes long.
 Data: < u&#251;&#163;g           > 98 75 FB A3 67 01 00 00 00 00 00 00 00 00 00 00 
{300} normal block at 0x00000167A3FB6250, 16 bytes long.
 Data: <pu&#251;&#163;g           > 70 75 FB A3 67 01 00 00 00 00 00 00 00 00 00 00 
{299} normal block at 0x00000167A3FB1BE0, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{298} normal block at 0x00000167A3FB65C0, 16 bytes long.
 Data: <Hu&#251;&#163;g           > 48 75 FB A3 67 01 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x00000167A3FB5FD0, 16 bytes long.
 Data: < u&#251;&#163;g           > 20 75 FB A3 67 01 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x00000167A3FB6700, 16 bytes long.
 Data: <&#248;t&#251;&#163;g           > F8 74 FB A3 67 01 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x00000167A3FB6570, 16 bytes long.
 Data: <&#208;t&#251;&#163;g           > D0 74 FB A3 67 01 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x00000167A3FB7B40, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{293} normal block at 0x00000167A3FB5DA0, 16 bytes long.
 Data: <&#168;&#253;&#249;&#163;g           > A8 FD F9 A3 67 01 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x00000167A3FB12E0, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{291} normal block at 0x00000167A3FB63E0, 16 bytes long.
 Data: < &#253;&#249;&#163;g           > 80 FD F9 A3 67 01 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x00000167A3FB5F80, 16 bytes long.
 Data: <X&#253;&#249;&#163;g           > 58 FD F9 A3 67 01 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x00000167A3FB6C50, 16 bytes long.
 Data: <0&#253;&#249;&#163;g           > 30 FD F9 A3 67 01 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x00000167A3FB5EE0, 16 bytes long.
 Data: < &#253;&#249;&#163;g           > 08 FD F9 A3 67 01 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x00000167A3FB68E0, 16 bytes long.
 Data: <&#224;&#252;&#249;&#163;g           > E0 FC F9 A3 67 01 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x00000167A3FB6840, 16 bytes long.
 Data: <&#184;&#252;&#249;&#163;g           > B8 FC F9 A3 67 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x00000167A3FB14C0, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{283} normal block at 0x00000167A3FB6660, 16 bytes long.
 Data: < &#252;&#249;&#163;g           > 90 FC F9 A3 67 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x00000167A3F9FC90, 320 bytes long.
 Data: <`f&#251;&#163;g   &#192; &#251;&#163;g   > 60 66 FB A3 67 01 00 00 C0 14 FB A3 67 01 00 00 
{281} normal block at 0x00000167A3FB6520, 16 bytes long.
 Data: <&#176;t&#251;&#163;g           > B0 74 FB A3 67 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x00000167A3FB6B10, 16 bytes long.
 Data: < t&#251;&#163;g           > 88 74 FB A3 67 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x00000167A3FB1280, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{278} normal block at 0x00000167A3FB6390, 16 bytes long.
 Data: <`t&#251;&#163;g           > 60 74 FB A3 67 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x00000167A3FB15E0, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{276} normal block at 0x00000167A3FB6070, 16 bytes long.
 Data: <&#168;s&#251;&#163;g           > A8 73 FB A3 67 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x00000167A3FB6C00, 16 bytes long.
 Data: < s&#251;&#163;g           > 80 73 FB A3 67 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x00000167A3FB6020, 16 bytes long.
 Data: <Xs&#251;&#163;g           > 58 73 FB A3 67 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x00000167A3FB5D50, 16 bytes long.
 Data: <0s&#251;&#163;g           > 30 73 FB A3 67 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x00000167A3FB5F30, 16 bytes long.
 Data: < s&#251;&#163;g           > 08 73 FB A3 67 01 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x00000167A3FB5D00, 16 bytes long.
 Data: <&#224;r&#251;&#163;g           > E0 72 FB A3 67 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x00000167A3FB5E90, 16 bytes long.
 Data: <&#224; &#251;&#163;g           > E0 07 FB A3 67 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x00000167A3FB07E0, 40 bytes long.
 Data: < ^&#251;&#163;g   &#240;y&#251;&#163;g   > 90 5E FB A3 67 01 00 00 F0 79 FB A3 67 01 00 00 
{267} normal block at 0x00000167A3FB6200, 16 bytes long.
 Data: <&#192;r&#251;&#163;g           > C0 72 FB A3 67 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x00000167A3FB69D0, 16 bytes long.
 Data: < r&#251;&#163;g           > 98 72 FB A3 67 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x00000167A3FB1A00, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{264} normal block at 0x00000167A3FB64D0, 16 bytes long.
 Data: <pr&#251;&#163;g           > 70 72 FB A3 67 01 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x00000167A3FB7270, 992 bytes long.
 Data: <&#208;d&#251;&#163;g     &#251;&#163;g   > D0 64 FB A3 67 01 00 00 00 1A FB A3 67 01 00 00 
{99} normal block at 0x00000167A3FB18E0, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{98} normal block at 0x00000167A3FAEA70, 16 bytes long.
 Data: <P &#249;&#163;g           > 50 98 F9 A3 67 01 00 00 00 00 00 00 00 00 00 00 
{97} normal block at 0x00000167A3F99850, 40 bytes long.
 Data: <p&#234;&#250;&#163;g   &#224; &#251;&#163;g   > 70 EA FA A3 67 01 00 00 E0 18 FB A3 67 01 00 00 
{76} normal block at 0x00000167A3FAE840, 16 bytes long.
 Data: < &#234;b&#185;&#246;           > 80 EA 62 B9 F6 7F 00 00 00 00 00 00 00 00 00 00 
{75} normal block at 0x00000167A3FAE3E0, 16 bytes long.
 Data: <@&#233;b&#185;&#246;           > 40 E9 62 B9 F6 7F 00 00 00 00 00 00 00 00 00 00 
{74} normal block at 0x00000167A3FAE160, 16 bytes long.
 Data: <&#248;W_&#185;&#246;           > F8 57 5F B9 F6 7F 00 00 00 00 00 00 00 00 00 00 
{73} normal block at 0x00000167A3FAE750, 16 bytes long.
 Data: <&#216;W_&#185;&#246;           > D8 57 5F B9 F6 7F 00 00 00 00 00 00 00 00 00 00 
{72} normal block at 0x00000167A3FAE890, 16 bytes long.
 Data: <P _&#185;&#246;           > 50 04 5F B9 F6 7F 00 00 00 00 00 00 00 00 00 00 
{71} normal block at 0x00000167A3FAE700, 16 bytes long.
 Data: <0 _&#185;&#246;           > 30 04 5F B9 F6 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x00000167A3FAEC00, 16 bytes long.
 Data: <&#224; _&#185;&#246;           > E0 02 5F B9 F6 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x00000167A3FAE480, 16 bytes long.
 Data: <  _&#185;&#246;           > 10 04 5F B9 F6 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x00000167A3FAEB10, 16 bytes long.
 Data: <p _&#185;&#246;           > 70 04 5F B9 F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x00000167A3FAE980, 16 bytes long.
 Data: < &#192;]&#185;&#246;           > 18 C0 5D B9 F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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