Task 38650511
| Name | test_708-GPUGRID_TEST_ATM_4STEP_20261023-2-4-RND6103_0 |
| Workunit | 31595010 |
| Created | 23 Oct 2026, 23:37:00 UTC |
| Sent | 23 Oct 2026, 23:45:19 UTC |
| Report deadline | 28 Oct 2026, 23:45:19 UTC |
| Received | 27 Oct 2026, 18:53:04 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 654837 |
| Run time | 45 min 57 sec |
| CPU time | 45 min 57 sec |
| Validate state | Valid |
| Credit | 60,000.00 |
| Device peak FLOPS | 14,795.30 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 392.88 MB |
| Peak swap size | 6.90 GB |
| Peak disk usage | 3.03 GB |
Stderr output
<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
12:23:27 (36492): wrapper (7.9.26016): starting
12:23:27 (36492): 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
12:23:31 (36492): Library/usr/bin/tar.exe exited; CPU time 0.093750
12:23:31 (36492): 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\19\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\19\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.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {3835431} normal block at 0x000002441511EC80, 8 bytes long.
Data: < g D > 00 00 67 15 44 02 00 00
..\lib\diagnostics_win.cpp(417) : {3833956} normal block at 0x0000024416D8A3D0, 1080 bytes long.
Data: < 0 > DC 94 00 00 CD CD CD CD 30 01 00 00 00 00 00 00
..\zip\boinc_zip.cpp(122) : {310} normal block at 0x0000024415121330, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
Object dump complete.
13:09:58 (43088): wrapper (7.9.26016): starting
13:09:58 (43088): 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\19\tmp already exists.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1778} normal block at 0x000001F672EF55D0, 8 bytes long.
Data: < s > 00 00 1F 73 F6 01 00 00
..\lib\diagnostics_win.cpp(417) : {303} normal block at 0x000001F672EF64A0, 1080 bytes long.
Data: <<F H > 3C 46 00 00 CD CD CD CD 48 01 00 00 00 00 00 00
Object dump complete.
13:30:34 (39900): wrapper (7.9.26016): starting
13:30:34 (39900): 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\19\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
13:50:06 (39900): C:/Windows/system32/cmd.exe exited; CPU time 1044.125000
13:50:06 (39900): called boinc_finish(0)
0 bytes in 0 Free Blocks.
256 bytes in 6 Normal Blocks.
2288 bytes in 2 CRT Blocks.
0 bytes in 0 Ignore Blocks.
0 bytes in 0 Client Blocks.
Largest number used: 0 bytes.
Total allocations: 24204691 bytes.
Dumping objects ->
{1866} normal block at 0x000001D1FB8885F0, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1855} normal block at 0x000001D1FB8884A0, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1844} normal block at 0x000001D1FB888660, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{1833} normal block at 0x000001D1FB8889E0, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1822} normal block at 0x000001D1FB888A50, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{1791} normal block at 0x000001D1FB86C150, 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) : {1778} normal block at 0x000001D1FB889B00, 8 bytes long.
Data: < > 00 00 CC FB D1 01 00 00
{304} normal block at 0x000001D1FB889420, 8 bytes long.
Data: < > 20 A0 88 FB D1 01 00 00
{295} normal block at 0x000001D1FB877F40, 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 0x000001D1FB889E70, 16 bytes long.
Data: < > 18 8F 88 FB D1 01 00 00 00 00 00 00 00 00 00 00
{293} normal block at 0x000001D1FB889240, 16 bytes long.
Data: < > F0 8E 88 FB D1 01 00 00 00 00 00 00 00 00 00 00
{292} normal block at 0x000001D1FB881790, 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 0x000001D1FB8891A0, 16 bytes long.
Data: < > C8 8E 88 FB D1 01 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x000001D1FB889830, 16 bytes long.
Data: < > A0 8E 88 FB D1 01 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x000001D1FB889150, 16 bytes long.
Data: <x > 78 8E 88 FB D1 01 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x000001D1FB8897E0, 16 bytes long.
Data: <P > 50 8E 88 FB D1 01 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x000001D1FB888970, 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 0x000001D1FB889AB0, 16 bytes long.
Data: < > D8 AC 87 FB D1 01 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x000001D1FB881BB0, 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 0x000001D1FB889DD0, 16 bytes long.
Data: < > B0 AC 87 FB D1 01 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x000001D1FB889A60, 16 bytes long.
Data: < > 88 AC 87 FB D1 01 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x000001D1FB889A10, 16 bytes long.
Data: <` > 60 AC 87 FB D1 01 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x000001D1FB889D80, 16 bytes long.
Data: <8 > 38 AC 87 FB D1 01 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x000001D1FB889E20, 16 bytes long.
Data: < > 10 AC 87 FB D1 01 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x000001D1FB889970, 16 bytes long.
Data: < > E8 AB 87 FB D1 01 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x000001D1FB881730, 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 0x000001D1FB8899C0, 16 bytes long.
Data: < > C0 AB 87 FB D1 01 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x000001D1FB87ABC0, 320 bytes long.
Data: < 0 > C0 99 88 FB D1 01 00 00 30 17 88 FB D1 01 00 00
{274} normal block at 0x000001D1FB889C90, 16 bytes long.
Data: <0 > 30 8E 88 FB D1 01 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x000001D1FB889FB0, 16 bytes long.
Data: < > 08 8E 88 FB D1 01 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x000001D1FB881E50, 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 0x000001D1FB8891F0, 16 bytes long.
Data: < > E0 8D 88 FB D1 01 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x000001D1FB881DF0, 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 0x000001D1FB889600, 16 bytes long.
Data: <( > 28 8D 88 FB D1 01 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x000001D1FB889330, 16 bytes long.
Data: < > 00 8D 88 FB D1 01 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x000001D1FB889880, 16 bytes long.
Data: < > D8 8C 88 FB D1 01 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x000001D1FB8890B0, 16 bytes long.
Data: < > B0 8C 88 FB D1 01 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x000001D1FB889B50, 16 bytes long.
Data: < > 88 8C 88 FB D1 01 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x000001D1FB8805C0, 16 bytes long.
Data: <` > 60 8C 88 FB D1 01 00 00 00 00 00 00 00 00 00 00
{262} normal block at 0x000001D1FB8811A0, 16 bytes long.
Data: < > 20 88 88 FB D1 01 00 00 00 00 00 00 00 00 00 00
{261} normal block at 0x000001D1FB888820, 40 bytes long.
Data: < P > A0 11 88 FB D1 01 00 00 50 C1 86 FB D1 01 00 00
{260} normal block at 0x000001D1FB880570, 16 bytes long.
Data: <@ > 40 8C 88 FB D1 01 00 00 00 00 00 00 00 00 00 00
{259} normal block at 0x000001D1FB880C50, 16 bytes long.
Data: < > 18 8C 88 FB D1 01 00 00 00 00 00 00 00 00 00 00
{258} normal block at 0x000001D1FB8816D0, 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 0x000001D1FB880750, 16 bytes long.
Data: < > F0 8B 88 FB D1 01 00 00 00 00 00 00 00 00 00 00
{256} normal block at 0x000001D1FB888BF0, 992 bytes long.
Data: <P > 50 07 88 FB D1 01 00 00 D0 16 88 FB D1 01 00 00
{92} normal block at 0x000001D1FB881670, 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 0x000001D1FB880890, 16 bytes long.
Data: < > 90 88 88 FB D1 01 00 00 00 00 00 00 00 00 00 00
{90} normal block at 0x000001D1FB888890, 40 bytes long.
Data: < p > 90 08 88 FB D1 01 00 00 70 16 88 FB D1 01 00 00
{69} normal block at 0x000001D1FB8804D0, 16 bytes long.
Data: < V > 80 EA 56 F5 F6 7F 00 00 00 00 00 00 00 00 00 00
{68} normal block at 0x000001D1FB881010, 16 bytes long.
Data: <@ V > 40 E9 56 F5 F6 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x000001D1FB880A20, 16 bytes long.
Data: < WS > F8 57 53 F5 F6 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x000001D1FB880F20, 16 bytes long.
Data: < WS > D8 57 53 F5 F6 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x000001D1FB881150, 16 bytes long.
Data: <P S > 50 04 53 F5 F6 7F 00 00 00 00 00 00 00 00 00 00
{64} normal block at 0x000001D1FB8811F0, 16 bytes long.
Data: <0 S > 30 04 53 F5 F6 7F 00 00 00 00 00 00 00 00 00 00
{63} normal block at 0x000001D1FB880FC0, 16 bytes long.
Data: < S > E0 02 53 F5 F6 7F 00 00 00 00 00 00 00 00 00 00
{62} normal block at 0x000001D1FB880ED0, 16 bytes long.
Data: < S > 10 04 53 F5 F6 7F 00 00 00 00 00 00 00 00 00 00
{61} normal block at 0x000001D1FB881100, 16 bytes long.
Data: <p S > 70 04 53 F5 F6 7F 00 00 00 00 00 00 00 00 00 00
{60} normal block at 0x000001D1FB880A70, 16 bytes long.
Data: < Q > 18 C0 51 F5 F6 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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