Task 38686835

Name	test_230-GPUGRID_TEST_ATM_40STEP_20261023-32-40-RND8756_0
Workunit	31628244
Created	28 Oct 2026, 4:37:13 UTC
Sent	28 Oct 2026, 4:37:15 UTC
Report deadline	2 Nov 2026, 4:37:15 UTC
Received	28 Oct 2026, 6:13:05 UTC
Server state	Over
Outcome	Success
Client state	Done
Exit status	0 (0x00000000)
Computer ID	631520
Run time	35 min 45 sec
CPU time	33 min 37 sec
Validate state	Valid
Credit	60,000.00
Device peak FLOPS	6,608.41 GFLOPS
Application version	ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64
Peak working set size	696.64 MB
Peak swap size	5.26 GB
Peak disk usage	3.03 GB
Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
14:25:14 (22944): wrapper (7.9.26016): starting
14:25:14 (22944): 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
14:25:16 (22944): Library/usr/bin/tar.exe exited; CPU time 0.015625
14:25:16 (22944): 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
14:59:40 (22944): C:/Windows/system32/cmd.exe exited; CPU time 2017.140625
14:59:40 (22944): 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: 37721679 bytes.
Dumping objects ->
{3835268} normal block at 0x000002657A6ED140, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835257} normal block at 0x0000026578684740, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835246} normal block at 0x00000265786846D0, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835235} normal block at 0x0000026578684CF0, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835224} normal block at 0x0000026578684C10, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835193} normal block at 0x000002657A736100, 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) : {3835180} normal block at 0x00000265786807D0, 8 bytes long.
 Data: <  &#175;xe   > 00 00 AF 78 65 02 00 00 
{3834037} normal block at 0x0000026578680960, 8 bytes long.
 Data: <&#176;&#195;mxe   > B0 C3 6D 78 65 02 00 00 
..\zip\boinc_zip.cpp(122) : {307} normal block at 0x0000026578676370, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x00000265786775B0, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{291} normal block at 0x0000026578685D40, 16 bytes long.
 Data: < dhxe           > E8 64 68 78 65 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x0000026578685CF0, 16 bytes long.
 Data: <&#192;dhxe           > C0 64 68 78 65 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x000002657867FA60, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{288} normal block at 0x0000026578685ED0, 16 bytes long.
 Data: < dhxe           > 98 64 68 78 65 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x0000026578685CA0, 16 bytes long.
 Data: <pdhxe           > 70 64 68 78 65 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x0000026578685E80, 16 bytes long.
 Data: <Hdhxe           > 48 64 68 78 65 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x0000026578685C00, 16 bytes long.
 Data: < dhxe           > 20 64 68 78 65 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x0000026578684660, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{283} normal block at 0x0000026578685480, 16 bytes long.
 Data: <  fxe           > 08 FC 66 78 65 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000002657867F400, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{281} normal block at 0x0000026578686150, 16 bytes long.
 Data: <  fxe           > E0 FB 66 78 65 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x0000026578685A70, 16 bytes long.
 Data: <&#184; fxe           > B8 FB 66 78 65 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x00000265786860B0, 16 bytes long.
 Data: <  fxe           > 90 FB 66 78 65 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x0000026578685390, 16 bytes long.
 Data: <h fxe           > 68 FB 66 78 65 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x0000026578686060, 16 bytes long.
 Data: <@ fxe           > 40 FB 66 78 65 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x0000026578685B60, 16 bytes long.
 Data: <  fxe           > 18 FB 66 78 65 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x000002657867F6A0, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{273} normal block at 0x0000026578686010, 16 bytes long.
 Data: <  fxe           > F0 FA 66 78 65 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000002657866FAF0, 320 bytes long.
 Data: < `hxe     gxe   > 10 60 68 78 65 02 00 00 A0 F6 67 78 65 02 00 00 
{271} normal block at 0x0000026578685FC0, 16 bytes long.
 Data: < dhxe           > 00 64 68 78 65 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x0000026578685F70, 16 bytes long.
 Data: <&#216;chxe           > D8 63 68 78 65 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x0000026578680060, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{268} normal block at 0x0000026578685DE0, 16 bytes long.
 Data: <&#176;chxe           > B0 63 68 78 65 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000002657867F700, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{266} normal block at 0x0000026578685B10, 16 bytes long.
 Data: < bhxe           > F8 62 68 78 65 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x0000026578685340, 16 bytes long.
 Data: <&#208;bhxe           > D0 62 68 78 65 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x0000026578685700, 16 bytes long.
 Data: <&#168;bhxe           > A8 62 68 78 65 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x0000026578685AC0, 16 bytes long.
 Data: < bhxe           > 80 62 68 78 65 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x0000026578685430, 16 bytes long.
 Data: <Xbhxe           > 58 62 68 78 65 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x00000265786854D0, 16 bytes long.
 Data: <0bhxe           > 30 62 68 78 65 02 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x00000265786856B0, 16 bytes long.
 Data: < Hhxe           > 20 48 68 78 65 02 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x0000026578684820, 40 bytes long.
 Data: <&#176;Vhxe    asze   > B0 56 68 78 65 02 00 00 00 61 73 7A 65 02 00 00 
{257} normal block at 0x0000026578685C50, 16 bytes long.
 Data: < bhxe           > 10 62 68 78 65 02 00 00 00 00 00 00 00 00 00 00 
{256} normal block at 0x0000026578685A20, 16 bytes long.
 Data: < ahxe           > E8 61 68 78 65 02 00 00 00 00 00 00 00 00 00 00 
{255} normal block at 0x000002657867FC40, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{254} normal block at 0x0000026578685930, 16 bytes long.
 Data: <&#192;ahxe           > C0 61 68 78 65 02 00 00 00 00 00 00 00 00 00 00 
{253} normal block at 0x00000265786861C0, 992 bytes long.
 Data: <0Yhxe   @ gxe   > 30 59 68 78 65 02 00 00 40 FC 67 78 65 02 00 00 
{89} normal block at 0x000002657867F9A0, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{88} normal block at 0x0000026578680320, 16 bytes long.
 Data: <` fxe           > 60 E1 66 78 65 02 00 00 00 00 00 00 00 00 00 00 
{87} normal block at 0x000002657866E160, 40 bytes long.
 Data: <  hxe     gxe   > 20 03 68 78 65 02 00 00 A0 F9 67 78 65 02 00 00 
{64} normal block at 0x0000026578680A00, 16 bytes long.
 Data: <  f             > 80 EA 66 93 F6 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x0000026578680FF0, 16 bytes long.
 Data: <@ f             > 40 E9 66 93 F6 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x0000026578680C80, 16 bytes long.
 Data: < Wc             > F8 57 63 93 F6 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x0000026578680FA0, 16 bytes long.
 Data: <&#216;Wc             > D8 57 63 93 F6 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x0000026578680B40, 16 bytes long.
 Data: <P c             > 50 04 63 93 F6 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x0000026578680F50, 16 bytes long.
 Data: <0 c             > 30 04 63 93 F6 7F 00 00 00 00 00 00 00 00 00 00 
{58} normal block at 0x0000026578680DC0, 16 bytes long.
 Data: <  c             > E0 02 63 93 F6 7F 00 00 00 00 00 00 00 00 00 00 
{57} normal block at 0x0000026578680230, 16 bytes long.
 Data: <  c             > 10 04 63 93 F6 7F 00 00 00 00 00 00 00 00 00 00 
{56} normal block at 0x0000026578680730, 16 bytes long.
 Data: <p c             > 70 04 63 93 F6 7F 00 00 00 00 00 00 00 00 00 00 
{55} normal block at 0x00000265786805F0, 16 bytes long.
 Data: < &#192;a             > 18 C0 61 93 F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>