Task 38680212

Name test_212-GPUGRID_TEST_ATM_40STEP_20261023-9-40-RND8416_0
Workunit 31621944
Created 26 Oct 2026, 23:10:59 UTC
Sent 26 Oct 2026, 23:11:05 UTC
Report deadline 31 Oct 2026, 23:11:05 UTC
Received 26 Oct 2026, 23:45:54 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 721.32 MB
Peak swap size 9.78 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.8</core_client_version>
<![CDATA[
<stderr_txt>
18:27:25 (36936): wrapper (7.9.26016): starting
18:27:25 (36936): 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
18:27:26 (36936): Library/usr/bin/tar.exe exited; CPU time 0.015625
18:27:26 (36936): 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
18:50:59 (36936): C:/Windows/system32/cmd.exe exited; CPU time 1332.671875
18:50:59 (36936): 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: 28496065 bytes.
Dumping objects ->
{3835221} normal block at 0x0000018BA5FDA170, 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 0x0000018BA5FDA4F0, 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 0x0000018BA5FDA100, 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 0x0000018BA5FDA640, 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 0x0000018BA5FD9AE0, 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 0x0000018BA7D67300, 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 0x0000018BA5FAB420, 8 bytes long.
 Data: <  I&#166;&#139;   > 00 00 49 A6 8B 01 00 00 
{3833975} normal block at 0x0000018BA5FAB2E0, 8 bytes long.
 Data: <`&#188;&#253;&#165;&#139;   > 60 BC FD A5 8B 01 00 00 
..\zip\boinc_zip.cpp(122) : {319} normal block at 0x0000018BA5FB3510, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{304} normal block at 0x0000018BA5FA75F0, 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 0x0000018BA5FB7490, 16 bytes long.
 Data: < y&#251;&#165;&#139;           > 18 79 FB A5 8B 01 00 00 00 00 00 00 00 00 00 00 
{302} normal block at 0x0000018BA5FB7440, 16 bytes long.
 Data: <&#240;x&#251;&#165;&#139;           > F0 78 FB A5 8B 01 00 00 00 00 00 00 00 00 00 00 
{301} normal block at 0x0000018BA5FAF580, 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 0x0000018BA5FB73F0, 16 bytes long.
 Data: <&#200;x&#251;&#165;&#139;           > C8 78 FB A5 8B 01 00 00 00 00 00 00 00 00 00 00 
{299} normal block at 0x0000018BA5FB72B0, 16 bytes long.
 Data: <&#160;x&#251;&#165;&#139;           > A0 78 FB A5 8B 01 00 00 00 00 00 00 00 00 00 00 
{298} normal block at 0x0000018BA5FB7530, 16 bytes long.
 Data: <xx&#251;&#165;&#139;           > 78 78 FB A5 8B 01 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x0000018BA5FB7120, 16 bytes long.
 Data: <Px&#251;&#165;&#139;           > 50 78 FB A5 8B 01 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x0000018BA5FB0040, 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 0x0000018BA5FB6FE0, 16 bytes long.
 Data: <H&#253;&#249;&#165;&#139;           > 48 FD F9 A5 8B 01 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x0000018BA5FAF280, 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 0x0000018BA5FB6D60, 16 bytes long.
 Data: < &#253;&#249;&#165;&#139;           > 20 FD F9 A5 8B 01 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x0000018BA5FB6720, 16 bytes long.
 Data: <&#248;&#252;&#249;&#165;&#139;           > F8 FC F9 A5 8B 01 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x0000018BA5FB7260, 16 bytes long.
 Data: <&#208;&#252;&#249;&#165;&#139;           > D0 FC F9 A5 8B 01 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x0000018BA5FB71C0, 16 bytes long.
 Data: <&#168;&#252;&#249;&#165;&#139;           > A8 FC F9 A5 8B 01 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x0000018BA5FB73A0, 16 bytes long.
 Data: < &#252;&#249;&#165;&#139;           > 80 FC F9 A5 8B 01 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x0000018BA5FB6B30, 16 bytes long.
 Data: <X&#252;&#249;&#165;&#139;           > 58 FC F9 A5 8B 01 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x0000018BA5FAF520, 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 0x0000018BA5FB6F90, 16 bytes long.
 Data: <0&#252;&#249;&#165;&#139;           > 30 FC F9 A5 8B 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x0000018BA5F9FC30, 320 bytes long.
 Data: < o&#251;&#165;&#139;    &#245;&#250;&#165;&#139;   > 90 6F FB A5 8B 01 00 00 20 F5 FA A5 8B 01 00 00 
{283} normal block at 0x0000018BA5FB68B0, 16 bytes long.
 Data: <0x&#251;&#165;&#139;           > 30 78 FB A5 8B 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x0000018BA5FB7300, 16 bytes long.
 Data: < x&#251;&#165;&#139;           > 08 78 FB A5 8B 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x0000018BA5FAF160, 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 0x0000018BA5FB6C70, 16 bytes long.
 Data: <&#224;w&#251;&#165;&#139;           > E0 77 FB A5 8B 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x0000018BA5FAF6A0, 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 0x0000018BA5FB7210, 16 bytes long.
 Data: <(w&#251;&#165;&#139;           > 28 77 FB A5 8B 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x0000018BA5FB6B80, 16 bytes long.
 Data: < w&#251;&#165;&#139;           > 00 77 FB A5 8B 01 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x0000018BA5FB70D0, 16 bytes long.
 Data: <&#216;v&#251;&#165;&#139;           > D8 76 FB A5 8B 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x0000018BA5FB6EF0, 16 bytes long.
 Data: <&#176;v&#251;&#165;&#139;           > B0 76 FB A5 8B 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x0000018BA5FB6AE0, 16 bytes long.
 Data: < v&#251;&#165;&#139;           > 88 76 FB A5 8B 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x0000018BA5FB7080, 16 bytes long.
 Data: <`v&#251;&#165;&#139;           > 60 76 FB A5 8B 01 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x0000018BA5FB7350, 16 bytes long.
 Data: <&#208;&#255;&#250;&#165;&#139;           > D0 FF FA A5 8B 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x0000018BA5FAFFD0, 40 bytes long.
 Data: <Ps&#251;&#165;&#139;    s&#214;&#167;&#139;   > 50 73 FB A5 8B 01 00 00 00 73 D6 A7 8B 01 00 00 
{269} normal block at 0x0000018BA5FB7170, 16 bytes long.
 Data: <@v&#251;&#165;&#139;           > 40 76 FB A5 8B 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x0000018BA5FB6680, 16 bytes long.
 Data: < v&#251;&#165;&#139;           > 18 76 FB A5 8B 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x0000018BA5FAF460, 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 0x0000018BA5FB6A90, 16 bytes long.
 Data: <&#240;u&#251;&#165;&#139;           > F0 75 FB A5 8B 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x0000018BA5FB75F0, 992 bytes long.
 Data: < j&#251;&#165;&#139;   `&#244;&#250;&#165;&#139;   > 90 6A FB A5 8B 01 00 00 60 F4 FA A5 8B 01 00 00 
{101} normal block at 0x0000018BA5FAEFE0, 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 0x0000018BA5FAB8D0, 16 bytes long.
 Data: <&#160; &#251;&#165;&#139;           > A0 04 FB A5 8B 01 00 00 00 00 00 00 00 00 00 00 
{99} normal block at 0x0000018BA5FB04A0, 40 bytes long.
 Data: <&#208;&#184;&#250;&#165;&#139;   &#224;&#239;&#250;&#165;&#139;   > D0 B8 FA A5 8B 01 00 00 E0 EF FA A5 8B 01 00 00 
{78} normal block at 0x0000018BA5FAB9C0, 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 0x0000018BA5FABB50, 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 0x0000018BA5FAB6F0, 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 0x0000018BA5FABD30, 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 0x0000018BA5FABBF0, 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 0x0000018BA5FAB880, 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 0x0000018BA5FAB650, 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 0x0000018BA5FABA10, 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 0x0000018BA5FAB7E0, 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 0x0000018BA5FAB380, 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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