Task 38668498

Name test_169-GPUGRID_TEST_ATM_40STEP_20261023-3-40-RND5535_0
Workunit 31611005
Created 25 Oct 2026, 11:57:02 UTC
Sent 25 Oct 2026, 11:57:08 UTC
Report deadline 30 Oct 2026, 11:57:08 UTC
Received 25 Oct 2026, 12:33:53 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 652906
Run time 35 min 6 sec
CPU time 33 min 52 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 15,394.34 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 726.11 MB
Peak swap size 8.37 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
07:58:06 (45596): wrapper (7.9.26016): starting
07:58:06 (45596): 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
07:58:07 (45596): Library/usr/bin/tar.exe exited; CPU time 0.000000
07:58:07 (45596): 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
08:33:02 (45596): C:/Windows/system32/cmd.exe exited; CPU time 2032.593750
08:33:02 (45596): 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: 45384123 bytes.
Dumping objects ->
{3835247} normal block at 0x000001AFE4E3F000, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835236} normal block at 0x000001AFE4E3F770, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835225} normal block at 0x000001AFE4E3F7E0, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835214} normal block at 0x000001AFE2C1A430, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835203} normal block at 0x000001AFE2C1A350, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835172} normal block at 0x000001AFE4DB3E90, 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) : {3835159} normal block at 0x000001AFE2C0FD20, 8 bytes long.
 Data: <  &#178;&#226;&#175;   > 00 00 B2 E2 AF 01 00 00 
{3833953} normal block at 0x000001AFE2C10220, 8 bytes long.
 Data: <&#176;&#248;&#224;&#228;&#175;   > B0 F8 E0 E4 AF 01 00 00 
..\zip\boinc_zip.cpp(122) : {308} normal block at 0x000001AFE2C203F0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x000001AFE2BFEB30, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{292} normal block at 0x000001AFE2C1E940, 16 bytes long.
 Data: <Hz&#193;&#226;&#175;           > 48 7A C1 E2 AF 01 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x000001AFE2C1E8F0, 16 bytes long.
 Data: < z&#193;&#226;&#175;           > 20 7A C1 E2 AF 01 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x000001AFE2C14510, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{289} normal block at 0x000001AFE2C1E850, 16 bytes long.
 Data: <&#248;y&#193;&#226;&#175;           > F8 79 C1 E2 AF 01 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x000001AFE2C1E800, 16 bytes long.
 Data: <&#208;y&#193;&#226;&#175;           > D0 79 C1 E2 AF 01 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x000001AFE2C1E620, 16 bytes long.
 Data: <&#168;y&#193;&#226;&#175;           > A8 79 C1 E2 AF 01 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x000001AFE2C1E990, 16 bytes long.
 Data: < y&#193;&#226;&#175;           > 80 79 C1 E2 AF 01 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x000001AFE2C1A5F0, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{284} normal block at 0x000001AFE2C1F160, 16 bytes long.
 Data: <H &#192;&#226;&#175;           > 48 11 C0 E2 AF 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000001AFE2C14210, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{282} normal block at 0x000001AFE2C1F2A0, 16 bytes long.
 Data: <  &#192;&#226;&#175;           > 20 11 C0 E2 AF 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000001AFE2C1E9E0, 16 bytes long.
 Data: <&#248; &#192;&#226;&#175;           > F8 10 C0 E2 AF 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000001AFE2C1E530, 16 bytes long.
 Data: <&#208; &#192;&#226;&#175;           > D0 10 C0 E2 AF 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x000001AFE2C1EDF0, 16 bytes long.
 Data: <&#168; &#192;&#226;&#175;           > A8 10 C0 E2 AF 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000001AFE2C1E3A0, 16 bytes long.
 Data: <  &#192;&#226;&#175;           > 80 10 C0 E2 AF 01 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x000001AFE2C1EB70, 16 bytes long.
 Data: <X &#192;&#226;&#175;           > 58 10 C0 E2 AF 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000001AFE2C13FD0, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{274} normal block at 0x000001AFE2C1E4E0, 16 bytes long.
 Data: <0 &#192;&#226;&#175;           > 30 10 C0 E2 AF 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x000001AFE2C01030, 320 bytes long.
 Data: <&#224;&#228;&#193;&#226;&#175;   &#208;?&#193;&#226;&#175;   > E0 E4 C1 E2 AF 01 00 00 D0 3F C1 E2 AF 01 00 00 
{272} normal block at 0x000001AFE2C1EF80, 16 bytes long.
 Data: <`y&#193;&#226;&#175;           > 60 79 C1 E2 AF 01 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x000001AFE2C1E8A0, 16 bytes long.
 Data: <8y&#193;&#226;&#175;           > 38 79 C1 E2 AF 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x000001AFE2C13DF0, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{269} normal block at 0x000001AFE2C1ED50, 16 bytes long.
 Data: < y&#193;&#226;&#175;           > 10 79 C1 E2 AF 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000001AFE2C13EB0, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{267} normal block at 0x000001AFE2C1EF30, 16 bytes long.
 Data: <Xx&#193;&#226;&#175;           > 58 78 C1 E2 AF 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000001AFE2C1E490, 16 bytes long.
 Data: <0x&#193;&#226;&#175;           > 30 78 C1 E2 AF 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x000001AFE2C1E7B0, 16 bytes long.
 Data: < x&#193;&#226;&#175;           > 08 78 C1 E2 AF 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000001AFE2C1E760, 16 bytes long.
 Data: <&#224;w&#193;&#226;&#175;           > E0 77 C1 E2 AF 01 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x000001AFE2C1EEE0, 16 bytes long.
 Data: <&#184;w&#193;&#226;&#175;           > B8 77 C1 E2 AF 01 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x000001AFE2C1E440, 16 bytes long.
 Data: < w&#193;&#226;&#175;           > 90 77 C1 E2 AF 01 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x000001AFE2C1EC60, 16 bytes long.
 Data: < &#165;&#193;&#226;&#175;           > 80 A5 C1 E2 AF 01 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x000001AFE2C1A580, 40 bytes long.
 Data: <`&#236;&#193;&#226;&#175;    >&#219;&#228;&#175;   > 60 EC C1 E2 AF 01 00 00 90 3E DB E4 AF 01 00 00 
{258} normal block at 0x000001AFE2C1F070, 16 bytes long.
 Data: <pw&#193;&#226;&#175;           > 70 77 C1 E2 AF 01 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x000001AFE2C1E6C0, 16 bytes long.
 Data: <Hw&#193;&#226;&#175;           > 48 77 C1 E2 AF 01 00 00 00 00 00 00 00 00 00 00 
{256} normal block at 0x000001AFE2C13730, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{255} normal block at 0x000001AFE2C1ECB0, 16 bytes long.
 Data: < w&#193;&#226;&#175;           > 20 77 C1 E2 AF 01 00 00 00 00 00 00 00 00 00 00 
{254} normal block at 0x000001AFE2C17720, 992 bytes long.
 Data: <&#176;&#236;&#193;&#226;&#175;   07&#193;&#226;&#175;   > B0 EC C1 E2 AF 01 00 00 30 37 C1 E2 AF 01 00 00 
{90} normal block at 0x000001AFE2C144B0, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{89} normal block at 0x000001AFE2C0FAF0, 16 bytes long.
 Data: <@&#160;&#193;&#226;&#175;           > 40 A0 C1 E2 AF 01 00 00 00 00 00 00 00 00 00 00 
{88} normal block at 0x000001AFE2C1A040, 40 bytes long.
 Data: <&#240;&#250;&#192;&#226;&#175;   &#176;D&#193;&#226;&#175;   > F0 FA C0 E2 AF 01 00 00 B0 44 C1 E2 AF 01 00 00 
{67} normal block at 0x000001AFE2C104A0, 16 bytes long.
 Data: < &#234;&#169;&#146;&#247;           > 80 EA A9 92 F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000001AFE2C10450, 16 bytes long.
 Data: <@&#233;&#169;&#146;&#247;           > 40 E9 A9 92 F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000001AFE2C10540, 16 bytes long.
 Data: <&#248;W&#166;&#146;&#247;           > F8 57 A6 92 F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x000001AFE2C102C0, 16 bytes long.
 Data: <&#216;W&#166;&#146;&#247;           > D8 57 A6 92 F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x000001AFE2C10590, 16 bytes long.
 Data: <P &#166;&#146;&#247;           > 50 04 A6 92 F7 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x000001AFE2C0FCD0, 16 bytes long.
 Data: <0 &#166;&#146;&#247;           > 30 04 A6 92 F7 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x000001AFE2C0FB90, 16 bytes long.
 Data: <&#224; &#166;&#146;&#247;           > E0 02 A6 92 F7 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x000001AFE2C0FAA0, 16 bytes long.
 Data: <  &#166;&#146;&#247;           > 10 04 A6 92 F7 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x000001AFE2C10720, 16 bytes long.
 Data: <p &#166;&#146;&#247;           > 70 04 A6 92 F7 7F 00 00 00 00 00 00 00 00 00 00 
{58} normal block at 0x000001AFE2C10630, 16 bytes long.
 Data: < &#192;&#164;&#146;&#247;           > 18 C0 A4 92 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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