Task 38687305

Name test_848-GPUGRID_TEST_ATM_40STEP_20261023-32-40-RND2410_0
Workunit 31628698
Created 28 Oct 2026, 7:03:02 UTC
Sent 28 Oct 2026, 7:03:15 UTC
Report deadline 2 Nov 2026, 7:03:15 UTC
Received 28 Oct 2026, 8:37:49 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 648578
Run time 23 min 59 sec
CPU time 22 min 59 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 20,163.62 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 731.53 MB
Peak swap size 6.88 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
09:13:19 (16832): wrapper (7.9.26016): starting
09:13:19 (16832): 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
09:13:20 (16832): Library/usr/bin/tar.exe exited; CPU time 0.015625
09:13:20 (16832): 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\1\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\1\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
09:36:40 (16832): C:/Windows/system32/cmd.exe exited; CPU time 1379.109375
09:36:40 (16832): called boinc_finish(0)
0 bytes in 0 Free Blocks.
422 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: 19928960 bytes.
Dumping objects ->
{3835554} normal block at 0x000001ED86902D20, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835543} normal block at 0x000001ED84B05C20, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835532} normal block at 0x000001ED84B05BB0, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835521} normal block at 0x000001ED84B059F0, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835510} normal block at 0x000001ED84B05E50, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835479} normal block at 0x000001ED86879EE0, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835468} normal block at 0x000001ED84AEE990, 83 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) : {3835465} normal block at 0x000001ED84AFF260, 8 bytes long.
 Data: <  &#250;&#132;&#237;   > 00 00 FA 84 ED 01 00 00 
{3834684} normal block at 0x000001ED84AEED80, 83 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833957} normal block at 0x000001ED84AFF120, 8 bytes long.
 Data: <0F&#141;&#134;&#237;   > 30 46 8D 86 ED 01 00 00 
..\zip\boinc_zip.cpp(122) : {310} normal block at 0x000001ED84B00F60, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x000001ED84AEEA20, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{294} normal block at 0x000001ED84B063E0, 16 bytes long.
 Data: <&#232;t&#176;&#132;&#237;           > E8 74 B0 84 ED 01 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x000001ED84B06480, 16 bytes long.
 Data: <&#192;t&#176;&#132;&#237;           > C0 74 B0 84 ED 01 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x000001ED84B000B0, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{291} normal block at 0x000001ED84B06840, 16 bytes long.
 Data: < t&#176;&#132;&#237;           > 98 74 B0 84 ED 01 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x000001ED84B07010, 16 bytes long.
 Data: <pt&#176;&#132;&#237;           > 70 74 B0 84 ED 01 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x000001ED84B06F20, 16 bytes long.
 Data: <Ht&#176;&#132;&#237;           > 48 74 B0 84 ED 01 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x000001ED84B06ED0, 16 bytes long.
 Data: < t&#176;&#132;&#237;           > 20 74 B0 84 ED 01 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x000001ED84B05FA0, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{286} normal block at 0x000001ED84B06BB0, 16 bytes long.
 Data: < &#141;&#175;&#132;&#237;           > 08 8D AF 84 ED 01 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x000001ED84AFF7B0, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{284} normal block at 0x000001ED84B062A0, 16 bytes long.
 Data: <&#224;&#140;&#175;&#132;&#237;           > E0 8C AF 84 ED 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000001ED84B067F0, 16 bytes long.
 Data: <&#184;&#140;&#175;&#132;&#237;           > B8 8C AF 84 ED 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000001ED84B06E80, 16 bytes long.
 Data: < &#140;&#175;&#132;&#237;           > 90 8C AF 84 ED 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000001ED84B070B0, 16 bytes long.
 Data: <h&#140;&#175;&#132;&#237;           > 68 8C AF 84 ED 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000001ED84B06340, 16 bytes long.
 Data: <@&#140;&#175;&#132;&#237;           > 40 8C AF 84 ED 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x000001ED84B07060, 16 bytes long.
 Data: < &#140;&#175;&#132;&#237;           > 18 8C AF 84 ED 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000001ED84B00230, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{276} normal block at 0x000001ED84B067A0, 16 bytes long.
 Data: <&#240;&#139;&#175;&#132;&#237;           > F0 8B AF 84 ED 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000001ED84AF8BF0, 320 bytes long.
 Data: <&#160;g&#176;&#132;&#237;   0 &#176;&#132;&#237;   > A0 67 B0 84 ED 01 00 00 30 02 B0 84 ED 01 00 00 
{274} normal block at 0x000001ED84B06750, 16 bytes long.
 Data: < t&#176;&#132;&#237;           > 00 74 B0 84 ED 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x000001ED84B06610, 16 bytes long.
 Data: <&#216;s&#176;&#132;&#237;           > D8 73 B0 84 ED 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000001ED84AFFFF0, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{271} normal block at 0x000001ED84B06AC0, 16 bytes long.
 Data: <&#176;s&#176;&#132;&#237;           > B0 73 B0 84 ED 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x000001ED84B001D0, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{269} normal block at 0x000001ED84B06930, 16 bytes long.
 Data: <&#248;r&#176;&#132;&#237;           > F8 72 B0 84 ED 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000001ED84B06B10, 16 bytes long.
 Data: <&#208;r&#176;&#132;&#237;           > D0 72 B0 84 ED 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000001ED84B06700, 16 bytes long.
 Data: <&#168;r&#176;&#132;&#237;           > A8 72 B0 84 ED 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000001ED84B066B0, 16 bytes long.
 Data: < r&#176;&#132;&#237;           > 80 72 B0 84 ED 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x000001ED84B06570, 16 bytes long.
 Data: <Xr&#176;&#132;&#237;           > 58 72 B0 84 ED 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000001ED84B068E0, 16 bytes long.
 Data: <0r&#176;&#132;&#237;           > 30 72 B0 84 ED 01 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x000001ED84B06250, 16 bytes long.
 Data: < ]&#176;&#132;&#237;           > 00 5D B0 84 ED 01 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x000001ED84B05D00, 40 bytes long.
 Data: <Pb&#176;&#132;&#237;   &#224;&#158;&#135;&#134;&#237;   > 50 62 B0 84 ED 01 00 00 E0 9E 87 86 ED 01 00 00 
{260} normal block at 0x000001ED84B06200, 16 bytes long.
 Data: < r&#176;&#132;&#237;           > 10 72 B0 84 ED 01 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x000001ED84B06F70, 16 bytes long.
 Data: <&#232;q&#176;&#132;&#237;           > E8 71 B0 84 ED 01 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x000001ED84AFFC90, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{257} normal block at 0x000001ED84B06390, 16 bytes long.
 Data: <&#192;q&#176;&#132;&#237;           > C0 71 B0 84 ED 01 00 00 00 00 00 00 00 00 00 00 
{256} normal block at 0x000001ED84B071C0, 992 bytes long.
 Data: < c&#176;&#132;&#237;    &#252;&#175;&#132;&#237;   > 90 63 B0 84 ED 01 00 00 90 FC AF 84 ED 01 00 00 
{92} normal block at 0x000001ED84AFFF30, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{91} normal block at 0x000001ED84AFE8B0, 16 bytes long.
 Data: <&#240;&#243;&#174;&#132;&#237;           > F0 F3 AE 84 ED 01 00 00 00 00 00 00 00 00 00 00 
{90} normal block at 0x000001ED84AEF3F0, 40 bytes long.
 Data: <&#176;&#232;&#175;&#132;&#237;   0 &#175;&#132;&#237;   > B0 E8 AF 84 ED 01 00 00 30 FF AF 84 ED 01 00 00 
{69} normal block at 0x000001ED84AFEF40, 16 bytes long.
 Data: < &#234;&#130;&#134;&#247;           > 80 EA 82 86 F7 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x000001ED84AFE9F0, 16 bytes long.
 Data: <@&#233;&#130;&#134;&#247;           > 40 E9 82 86 F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x000001ED84AFE900, 16 bytes long.
 Data: <&#248;W &#134;&#247;           > F8 57 7F 86 F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000001ED84AFE770, 16 bytes long.
 Data: <&#216;W &#134;&#247;           > D8 57 7F 86 F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000001ED84AFEAE0, 16 bytes long.
 Data: <P  &#134;&#247;           > 50 04 7F 86 F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x000001ED84AFF350, 16 bytes long.
 Data: <0  &#134;&#247;           > 30 04 7F 86 F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x000001ED84AFF530, 16 bytes long.
 Data: <&#224;  &#134;&#247;           > E0 02 7F 86 F7 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x000001ED84AFEE50, 16 bytes long.
 Data: <   &#134;&#247;           > 10 04 7F 86 F7 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x000001ED84AFF0D0, 16 bytes long.
 Data: <p  &#134;&#247;           > 70 04 7F 86 F7 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x000001ED84AFEB80, 16 bytes long.
 Data: < &#192;}&#134;&#247;           > 18 C0 7D 86 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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