Task 38695944
| Name | test_790-GPUGRID_TEST_ATM_40STEP_20261023-14-40-RND6792_1 |
| Workunit | 31620250 |
| Created | 31 Oct 2026, 17:23:22 UTC |
| Sent | 31 Oct 2026, 17:23:23 UTC |
| Report deadline | 5 Nov 2026, 17:23:23 UTC |
| Received | 4 Nov 2026, 6:32:23 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 630557 |
| Run time | 48 min 57 sec |
| CPU time | 45 min 29 sec |
| Validate state | Valid |
| Credit | 60,000.00 |
| Device peak FLOPS | 4,733.21 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 703.85 MB |
| Peak swap size | 12.76 GB |
| Peak disk usage | 3.03 GB |
Stderr output
<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
19:23:16 (24464): wrapper (7.9.26016): starting
19:23:16 (24464): 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
19:23:17 (24464): Library/usr/bin/tar.exe exited; CPU time 0.000000
19:23:17 (24464): 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\13\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\13\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) : {3835439} normal block at 0x000001AEE434DC90, 8 bytes long.
Data: < v > 00 00 76 E4 AE 01 00 00
..\lib\diagnostics_win.cpp(417) : {3833956} normal block at 0x000001AEE6059B00, 1080 bytes long.
Data: < < > F4 3C 00 00 CD CD CD CD 94 01 00 00 00 00 00 00
..\zip\boinc_zip.cpp(122) : {310} normal block at 0x000001AEE4350340, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
Object dump complete.
19:45:09 (25216): wrapper (7.9.26016): starting
19:45:09 (25216): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
Ein Unterverzeichnis oder eine Datei mit dem Namen "C:\ProgramData\BOINC\slots\13\tmp" existiert bereits.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1786} normal block at 0x000001631F2F4E10, 8 bytes long.
Data: < z c > 00 00 7A 1F 63 01 00 00
..\lib\diagnostics_win.cpp(417) : {303} normal block at 0x000001631F2F5E30, 1080 bytes long.
Data: < a H > A4 61 00 00 CD CD CD CD 48 01 00 00 00 00 00 00
Object dump complete.
06:51:07 (3364): wrapper (7.9.26016): starting
06:51:07 (3364): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
Ein Unterverzeichnis oder eine Datei mit dem Namen "C:\ProgramData\BOINC\slots\13\tmp" existiert bereits.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1786} normal block at 0x0000022AD7197670, 8 bytes long.
Data: < W * > 00 00 57 D7 2A 02 00 00
..\lib\diagnostics_win.cpp(417) : {303} normal block at 0x0000022AD7197CE0, 1080 bytes long.
Data: < 6 , > 20 36 00 00 CD CD CD CD 2C 01 00 00 00 00 00 00
Object dump complete.
07:04:20 (15980): wrapper (7.9.26016): starting
07:04:20 (15980): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
Ein Unterverzeichnis oder eine Datei mit dem Namen "C:\ProgramData\BOINC\slots\13\tmp" existiert bereits.
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
07:32:04 (15980): C:/Windows/system32/cmd.exe exited; CPU time 1640.140625
07:32:04 (15980): 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: 27074695 bytes.
Dumping objects ->
{1874} normal block at 0x0000020A69D84220, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1863} normal block at 0x0000020A69D84680, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1852} normal block at 0x0000020A69D84450, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{1841} normal block at 0x0000020A69D84530, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1830} normal block at 0x0000020A69D843E0, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{1799} normal block at 0x0000020A69D6E420, 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) : {1786} normal block at 0x0000020A69D84B70, 8 bytes long.
Data: < j > 00 00 17 6A 0A 02 00 00
{304} normal block at 0x0000020A69D84D50, 8 bytes long.
Data: < ] i > 20 5D D8 69 0A 02 00 00
{295} normal block at 0x0000020A69D75690, 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 0x0000020A69D85840, 16 bytes long.
Data: <(\ i > 28 5C D8 69 0A 02 00 00 00 00 00 00 00 00 00 00
{293} normal block at 0x0000020A69D85570, 16 bytes long.
Data: < \ i > 00 5C D8 69 0A 02 00 00 00 00 00 00 00 00 00 00
{292} normal block at 0x0000020A69D7EFF0, 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 0x0000020A69D85750, 16 bytes long.
Data: < [ i > D8 5B D8 69 0A 02 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x0000020A69D85700, 16 bytes long.
Data: < [ i > B0 5B D8 69 0A 02 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x0000020A69D84A30, 16 bytes long.
Data: < [ i > 88 5B D8 69 0A 02 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x0000020A69D84F80, 16 bytes long.
Data: <`[ i > 60 5B D8 69 0A 02 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x0000020A69D84290, 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 0x0000020A69D852A0, 16 bytes long.
Data: < i > B8 E3 D6 69 0A 02 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x0000020A69D7ED50, 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 0x0000020A69D849E0, 16 bytes long.
Data: < i > 90 E3 D6 69 0A 02 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x0000020A69D854D0, 16 bytes long.
Data: <h i > 68 E3 D6 69 0A 02 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x0000020A69D85480, 16 bytes long.
Data: <@ i > 40 E3 D6 69 0A 02 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x0000020A69D85890, 16 bytes long.
Data: < i > 18 E3 D6 69 0A 02 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x0000020A69D84EE0, 16 bytes long.
Data: < i > F0 E2 D6 69 0A 02 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x0000020A69D85250, 16 bytes long.
Data: < i > C8 E2 D6 69 0A 02 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x0000020A69D7EC90, 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 0x0000020A69D84D00, 16 bytes long.
Data: < i > A0 E2 D6 69 0A 02 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x0000020A69D6E2A0, 320 bytes long.
Data: < M i i > 00 4D D8 69 0A 02 00 00 90 EC D7 69 0A 02 00 00
{274} normal block at 0x0000020A69D84C60, 16 bytes long.
Data: <@[ i > 40 5B D8 69 0A 02 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x0000020A69D84C10, 16 bytes long.
Data: < [ i > 18 5B D8 69 0A 02 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x0000020A69D7F290, 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 0x0000020A69D84B20, 16 bytes long.
Data: < Z i > F0 5A D8 69 0A 02 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x0000020A69D7EF90, 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 0x0000020A69D85430, 16 bytes long.
Data: <8Z i > 38 5A D8 69 0A 02 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x0000020A69D84940, 16 bytes long.
Data: < Z i > 10 5A D8 69 0A 02 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x0000020A69D84A80, 16 bytes long.
Data: < Y i > E8 59 D8 69 0A 02 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x0000020A69D85660, 16 bytes long.
Data: < Y i > C0 59 D8 69 0A 02 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x0000020A69D855C0, 16 bytes long.
Data: < Y i > 98 59 D8 69 0A 02 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x0000020A69D84CB0, 16 bytes long.
Data: <pY i > 70 59 D8 69 0A 02 00 00 00 00 00 00 00 00 00 00
{262} normal block at 0x0000020A69D856B0, 16 bytes long.
Data: < D i > C0 44 D8 69 0A 02 00 00 00 00 00 00 00 00 00 00
{261} normal block at 0x0000020A69D844C0, 40 bytes long.
Data: < V i i > B0 56 D8 69 0A 02 00 00 20 E4 D6 69 0A 02 00 00
{260} normal block at 0x0000020A69D853E0, 16 bytes long.
Data: <PY i > 50 59 D8 69 0A 02 00 00 00 00 00 00 00 00 00 00
{259} normal block at 0x0000020A69D857F0, 16 bytes long.
Data: <(Y i > 28 59 D8 69 0A 02 00 00 00 00 00 00 00 00 00 00
{258} normal block at 0x0000020A69D7EC30, 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 0x0000020A69D84BC0, 16 bytes long.
Data: < Y i > 00 59 D8 69 0A 02 00 00 00 00 00 00 00 00 00 00
{256} normal block at 0x0000020A69D85900, 992 bytes long.
Data: < K i 0 i > C0 4B D8 69 0A 02 00 00 30 EC D7 69 0A 02 00 00
{92} normal block at 0x0000020A69D7EBD0, 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 0x0000020A69D7DE90, 16 bytes long.
Data: < i > 20 ED D6 69 0A 02 00 00 00 00 00 00 00 00 00 00
{90} normal block at 0x0000020A69D6ED20, 40 bytes long.
Data: < i i > 90 DE D7 69 0A 02 00 00 D0 EB D7 69 0A 02 00 00
{69} normal block at 0x0000020A69D7DD00, 16 bytes long.
Data: < > 80 EA BE 16 F7 7F 00 00 00 00 00 00 00 00 00 00
{68} normal block at 0x0000020A69D7E660, 16 bytes long.
Data: <@ > 40 E9 BE 16 F7 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x0000020A69D7E390, 16 bytes long.
Data: < W > F8 57 BB 16 F7 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x0000020A69D7E570, 16 bytes long.
Data: < W > D8 57 BB 16 F7 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x0000020A69D7E7F0, 16 bytes long.
Data: <P > 50 04 BB 16 F7 7F 00 00 00 00 00 00 00 00 00 00
{64} normal block at 0x0000020A69D7DDF0, 16 bytes long.
Data: <0 > 30 04 BB 16 F7 7F 00 00 00 00 00 00 00 00 00 00
{63} normal block at 0x0000020A69D7E200, 16 bytes long.
Data: < > E0 02 BB 16 F7 7F 00 00 00 00 00 00 00 00 00 00
{62} normal block at 0x0000020A69D7E840, 16 bytes long.
Data: < > 10 04 BB 16 F7 7F 00 00 00 00 00 00 00 00 00 00
{61} normal block at 0x0000020A69D7EA70, 16 bytes long.
Data: <p > 70 04 BB 16 F7 7F 00 00 00 00 00 00 00 00 00 00
{60} normal block at 0x0000020A69D7E930, 16 bytes long.
Data: < > 18 C0 B9 16 F7 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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