Task 38647059
| Name | test_774-GPUGRID_TEST_ATM_1000_20261023-0-1-RND9468_1 |
| Workunit | 31591611 |
| Created | 23 Oct 2026, 18:29:56 UTC |
| Sent | 23 Oct 2026, 18:30:58 UTC |
| Report deadline | 28 Oct 2026, 18:30:58 UTC |
| Received | 24 Oct 2026, 9:50:45 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 561090 |
| Run time | 46 min 55 sec |
| CPU time | 46 min 55 sec |
| Validate state | Valid |
| Credit | 1,000.00 |
| Device peak FLOPS | 8,189.73 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 3.71 GB |
| Peak swap size | 3.75 GB |
| Peak disk usage | 2.97 GB |
Stderr output
<core_client_version>8.2.4</core_client_version>
<![CDATA[
<stderr_txt>
22:49:03 (30724): wrapper (7.9.26016): starting
22:49:03 (30724): 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
22:49:31 (30724): Library/usr/bin/tar.exe exited; CPU time 0.171875
22:49:31 (30724): 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\8\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\8\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
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {3835103} normal block at 0x000001B9A8BD5FC0, 8 bytes long.
Data: < > 00 00 BA A8 B9 01 00 00
..\lib\diagnostics_win.cpp(417) : {3833950} normal block at 0x000001B9AA591CA0, 1080 bytes long.
Data: < o > 94 6F 00 00 CD CD CD CD F0 02 00 00 00 00 00 00
..\zip\boinc_zip.cpp(122) : {307} normal block at 0x000001B9A8BE0670, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
Object dump complete.
04:47:27 (16796): wrapper (7.9.26016): starting
04:47:27 (16796): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
A subdirectory or file C:\ProgramData\BOINC\slots\8\tmp already exists.
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
04:50:07 (16796): C:/Windows/system32/cmd.exe exited; CPU time 90.750000
04:50:07 (16796): 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: 2440838 bytes.
Dumping objects ->
{1541} normal block at 0x00000168A312D710, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1530} normal block at 0x00000168A312D2B0, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1519} normal block at 0x00000168A312D010, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{1508} normal block at 0x00000168A312D240, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1497} normal block at 0x00000168A312D470, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{1466} normal block at 0x00000168A311BB40, 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) : {1453} normal block at 0x00000168A3131670, 8 bytes long.
Data: < h > 00 00 AD A4 68 01 00 00
{301} normal block at 0x00000168A3131580, 8 bytes long.
Data: < < h > 80 3C 13 A3 68 01 00 00
{292} normal block at 0x00000168A3116290, 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 0x00000168A3132160, 16 bytes long.
Data: < ; h > 88 3B 13 A3 68 01 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x00000168A3131990, 16 bytes long.
Data: <`; h > 60 3B 13 A3 68 01 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x00000168A312B110, 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 0x00000168A31323E0, 16 bytes long.
Data: <8; h > 38 3B 13 A3 68 01 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x00000168A3131A30, 16 bytes long.
Data: < ; h > 10 3B 13 A3 68 01 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x00000168A3132070, 16 bytes long.
Data: < : h > E8 3A 13 A3 68 01 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x00000168A31322A0, 16 bytes long.
Data: < : h > C0 3A 13 A3 68 01 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x00000168A312D390, 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 0x00000168A3131E90, 16 bytes long.
Data: < h > D8 BA 11 A3 68 01 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x00000168A312B7D0, 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 0x00000168A3131EE0, 16 bytes long.
Data: < h > B0 BA 11 A3 68 01 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x00000168A3131530, 16 bytes long.
Data: < h > 88 BA 11 A3 68 01 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x00000168A3131490, 16 bytes long.
Data: <` h > 60 BA 11 A3 68 01 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x00000168A3131940, 16 bytes long.
Data: <8 h > 38 BA 11 A3 68 01 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x00000168A3131E40, 16 bytes long.
Data: < h > 10 BA 11 A3 68 01 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x00000168A3131FD0, 16 bytes long.
Data: < h > E8 B9 11 A3 68 01 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x00000168A312AC30, 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 0x00000168A3131D00, 16 bytes long.
Data: < h > C0 B9 11 A3 68 01 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x00000168A311B9C0, 320 bytes long.
Data: < h 0 h > 00 1D 13 A3 68 01 00 00 30 AC 12 A3 68 01 00 00
{271} normal block at 0x00000168A31318F0, 16 bytes long.
Data: < : h > A0 3A 13 A3 68 01 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x00000168A31316C0, 16 bytes long.
Data: <x: h > 78 3A 13 A3 68 01 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x00000168A312AD50, 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 0x00000168A3131C10, 16 bytes long.
Data: <P: h > 50 3A 13 A3 68 01 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x00000168A312AFF0, 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 0x00000168A3131DA0, 16 bytes long.
Data: < 9 h > 98 39 13 A3 68 01 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x00000168A3131F80, 16 bytes long.
Data: <p9 h > 70 39 13 A3 68 01 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x00000168A3131D50, 16 bytes long.
Data: <H9 h > 48 39 13 A3 68 01 00 00 00 00 00 00 00 00 00 00
{263} normal block at 0x00000168A31318A0, 16 bytes long.
Data: < 9 h > 20 39 13 A3 68 01 00 00 00 00 00 00 00 00 00 00
{262} normal block at 0x00000168A31320C0, 16 bytes long.
Data: < 8 h > F8 38 13 A3 68 01 00 00 00 00 00 00 00 00 00 00
{261} normal block at 0x00000168A31315D0, 16 bytes long.
Data: < 8 h > D0 38 13 A3 68 01 00 00 00 00 00 00 00 00 00 00
{259} normal block at 0x00000168A31322F0, 16 bytes long.
Data: < h > C0 D5 12 A3 68 01 00 00 00 00 00 00 00 00 00 00
{258} normal block at 0x00000168A312D5C0, 40 bytes long.
Data: < " h @ h > F0 22 13 A3 68 01 00 00 40 BB 11 A3 68 01 00 00
{257} normal block at 0x00000168A31321B0, 16 bytes long.
Data: < 8 h > B0 38 13 A3 68 01 00 00 00 00 00 00 00 00 00 00
{256} normal block at 0x00000168A3131DF0, 16 bytes long.
Data: < 8 h > 88 38 13 A3 68 01 00 00 00 00 00 00 00 00 00 00
{255} normal block at 0x00000168A312B4D0, 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 0x00000168A3131CB0, 16 bytes long.
Data: <`8 h > 60 38 13 A3 68 01 00 00 00 00 00 00 00 00 00 00
{253} normal block at 0x00000168A3133860, 992 bytes long.
Data: < h h > B0 1C 13 A3 68 01 00 00 D0 B4 12 A3 68 01 00 00
{89} normal block at 0x00000168A312B8F0, 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 0x00000168A3125D20, 16 bytes long.
Data: <P h > 50 D5 12 A3 68 01 00 00 00 00 00 00 00 00 00 00
{87} normal block at 0x00000168A312D550, 40 bytes long.
Data: < ] h h > 20 5D 12 A3 68 01 00 00 F0 B8 12 A3 68 01 00 00
{66} normal block at 0x00000168A3126590, 16 bytes long.
Data: < > 80 EA CC D0 F6 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x00000168A3126950, 16 bytes long.
Data: <@ > 40 E9 CC D0 F6 7F 00 00 00 00 00 00 00 00 00 00
{64} normal block at 0x00000168A3125F50, 16 bytes long.
Data: < W > F8 57 C9 D0 F6 7F 00 00 00 00 00 00 00 00 00 00
{63} normal block at 0x00000168A3126540, 16 bytes long.
Data: < W > D8 57 C9 D0 F6 7F 00 00 00 00 00 00 00 00 00 00
{62} normal block at 0x00000168A3125EB0, 16 bytes long.
Data: <P > 50 04 C9 D0 F6 7F 00 00 00 00 00 00 00 00 00 00
{61} normal block at 0x00000168A3126310, 16 bytes long.
Data: <0 > 30 04 C9 D0 F6 7F 00 00 00 00 00 00 00 00 00 00
{60} normal block at 0x00000168A31268B0, 16 bytes long.
Data: < > E0 02 C9 D0 F6 7F 00 00 00 00 00 00 00 00 00 00
{59} normal block at 0x00000168A31269A0, 16 bytes long.
Data: < > 10 04 C9 D0 F6 7F 00 00 00 00 00 00 00 00 00 00
{58} normal block at 0x00000168A3125F00, 16 bytes long.
Data: <p > 70 04 C9 D0 F6 7F 00 00 00 00 00 00 00 00 00 00
{57} normal block at 0x00000168A31269F0, 16 bytes long.
Data: < > 18 C0 C7 D0 F6 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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