Task 38672303
| Name | test_556-GPUGRID_TEST_ATM_40STEP_20261023-24-40-RND0069_0 |
| Workunit | 31614457 |
| Created | 25 Oct 2026, 23:02:05 UTC |
| Sent | 25 Oct 2026, 23:02:11 UTC |
| Report deadline | 30 Oct 2026, 23:02:11 UTC |
| Received | 26 Oct 2026, 11:27:54 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 610797 |
| Run time | 18 min 16 sec |
| CPU time | 16 min 44 sec |
| Validate state | Valid |
| Credit | 60,000.00 |
| Device peak FLOPS | 56,774.19 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 736.87 MB |
| Peak swap size | 13.05 GB |
| Peak disk usage | 3.03 GB |
Stderr output
<core_client_version>8.2.15</core_client_version>
<![CDATA[
<stderr_txt>
12:06:07 (5468): wrapper (7.9.26016): starting
12:06:07 (5468): 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
12:06:08 (5468): Library/usr/bin/tar.exe exited; CPU time 0.000000
12:06:08 (5468): 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:\DataBOINC\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:\DataBOINC\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.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {3835521} normal block at 0x0000021760751CF0, 8 bytes long.
Data: < o` > 00 00 6F 60 17 02 00 00
..\lib\diagnostics_win.cpp(417) : {3833960} normal block at 0x0000021762646630, 1080 bytes long.
Data: < b X > 94 62 00 00 CD CD CD CD 58 01 00 00 00 00 00 00
..\zip\boinc_zip.cpp(122) : {312} normal block at 0x000002176074F4F0, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
Object dump complete.
12:10:30 (11644): wrapper (7.9.26016): starting
12:10:30 (11644): 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:\DataBOINC\slots\0\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: Exiting with failure status due to previous errors
12:27:26 (11644): C:/Windows/system32/cmd.exe exited; CPU time 970.281250
12:27:26 (11644): called boinc_finish(0)
0 bytes in 0 Free Blocks.
380 bytes in 8 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: 18634896 bytes.
Dumping objects ->
{1955} normal block at 0x00000227C67A50E0, 48 bytes long.
Data: <PATH=C:\DataBOIN> 50 41 54 48 3D 43 3A 5C 44 61 74 61 42 4F 49 4E
{1944} normal block at 0x00000227C679F940, 32 bytes long.
Data: <HOME=C:\DataBOIN> 48 4F 4D 45 3D 43 3A 5C 44 61 74 61 42 4F 49 4E
{1933} normal block at 0x00000227C67A0360, 32 bytes long.
Data: <TMP=C:\DataBOINC> 54 4D 50 3D 43 3A 5C 44 61 74 61 42 4F 49 4E 43
{1922} normal block at 0x00000227C679FE20, 32 bytes long.
Data: <TEMP=C:\DataBOIN> 54 45 4D 50 3D 43 3A 5C 44 61 74 61 42 4F 49 4E
{1911} normal block at 0x00000227C679FDC0, 32 bytes long.
Data: <TMPDIR=C:\DataBO> 54 4D 50 44 49 52 3D 43 3A 5C 44 61 74 61 42 4F
{1880} normal block at 0x00000227C67A5690, 48 bytes long.
Data: <PATH=C:\DataBOIN> 50 41 54 48 3D 43 3A 5C 44 61 74 61 42 4F 49 4E
{1869} normal block at 0x00000227C678C5E0, 102 bytes long.
Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65
..\api\boinc_api.cpp(309) : {1866} normal block at 0x00000227C67A6590, 8 bytes long.
Data: < ' > 00 00 D8 C6 27 02 00 00
{1060} normal block at 0x00000227C678B8C0, 102 bytes long.
Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65
{306} normal block at 0x00000227C67A5FA0, 8 bytes long.
Data: <`pz ' > 60 70 7A C6 27 02 00 00
{297} normal block at 0x00000227C6797100, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{296} normal block at 0x00000227C67A6900, 16 bytes long.
Data: <hoz ' > 68 6F 7A C6 27 02 00 00 00 00 00 00 00 00 00 00
{295} normal block at 0x00000227C67A68B0, 16 bytes long.
Data: <@oz ' > 40 6F 7A C6 27 02 00 00 00 00 00 00 00 00 00 00
{294} normal block at 0x00000227C679F640, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{293} normal block at 0x00000227C67A6B80, 16 bytes long.
Data: < oz ' > 18 6F 7A C6 27 02 00 00 00 00 00 00 00 00 00 00
{292} normal block at 0x00000227C67A6220, 16 bytes long.
Data: < nz ' > F0 6E 7A C6 27 02 00 00 00 00 00 00 00 00 00 00
{291} normal block at 0x00000227C67A6B30, 16 bytes long.
Data: < nz ' > C8 6E 7A C6 27 02 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x00000227C67A6810, 16 bytes long.
Data: < nz ' > A0 6E 7A C6 27 02 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x00000227C67A52A0, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{288} normal block at 0x00000227C67A5E10, 16 bytes long.
Data: < x ' > 98 F7 78 C6 27 02 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x00000227C679F5E0, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{286} normal block at 0x00000227C67A6180, 16 bytes long.
Data: <p x ' > 70 F7 78 C6 27 02 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x00000227C67A60E0, 16 bytes long.
Data: <H x ' > 48 F7 78 C6 27 02 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x00000227C67A5EB0, 16 bytes long.
Data: < x ' > 20 F7 78 C6 27 02 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x00000227C67A6090, 16 bytes long.
Data: < x ' > F8 F6 78 C6 27 02 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x00000227C67A6680, 16 bytes long.
Data: < x ' > D0 F6 78 C6 27 02 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x00000227C67A6040, 16 bytes long.
Data: < x ' > A8 F6 78 C6 27 02 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x00000227C679FB20, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{278} normal block at 0x00000227C67A67C0, 16 bytes long.
Data: < x ' > 80 F6 78 C6 27 02 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x00000227C678F680, 320 bytes long.
Data: < gz ' y ' > C0 67 7A C6 27 02 00 00 20 FB 79 C6 27 02 00 00
{276} normal block at 0x00000227C67A5D70, 16 bytes long.
Data: < nz ' > 80 6E 7A C6 27 02 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x00000227C67A5FF0, 16 bytes long.
Data: <Xnz ' > 58 6E 7A C6 27 02 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x00000227C67A02A0, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{273} normal block at 0x00000227C67A6450, 16 bytes long.
Data: <0nz ' > 30 6E 7A C6 27 02 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x00000227C679F8E0, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{271} normal block at 0x00000227C67A6630, 16 bytes long.
Data: <xmz ' > 78 6D 7A C6 27 02 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x00000227C67A6360, 16 bytes long.
Data: <Pmz ' > 50 6D 7A C6 27 02 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x00000227C67A64F0, 16 bytes long.
Data: <(mz ' > 28 6D 7A C6 27 02 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x00000227C67A6AE0, 16 bytes long.
Data: < mz ' > 00 6D 7A C6 27 02 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x00000227C67A5CD0, 16 bytes long.
Data: < lz ' > D8 6C 7A C6 27 02 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x00000227C67A5E60, 16 bytes long.
Data: < lz ' > B0 6C 7A C6 27 02 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x00000227C67A6860, 16 bytes long.
Data: <@Uz ' > 40 55 7A C6 27 02 00 00 00 00 00 00 00 00 00 00
{263} normal block at 0x00000227C67A5540, 40 bytes long.
Data: <`hz ' Vz ' > 60 68 7A C6 27 02 00 00 90 56 7A C6 27 02 00 00
{262} normal block at 0x00000227C67A6540, 16 bytes long.
Data: < lz ' > 90 6C 7A C6 27 02 00 00 00 00 00 00 00 00 00 00
{261} normal block at 0x00000227C67A6130, 16 bytes long.
Data: <hlz ' > 68 6C 7A C6 27 02 00 00 00 00 00 00 00 00 00 00
{260} normal block at 0x00000227C679FE80, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{259} normal block at 0x00000227C67A6BD0, 16 bytes long.
Data: <@lz ' > 40 6C 7A C6 27 02 00 00 00 00 00 00 00 00 00 00
{258} normal block at 0x00000227C67A6C40, 992 bytes long.
Data: < kz ' y ' > D0 6B 7A C6 27 02 00 00 80 FE 79 C6 27 02 00 00
{94} normal block at 0x00000227C67A0060, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{93} normal block at 0x00000227C679DD50, 16 bytes long.
Data: <0 x ' > 30 EA 78 C6 27 02 00 00 00 00 00 00 00 00 00 00
{92} normal block at 0x00000227C678EA30, 40 bytes long.
Data: <P y ' ` z ' > 50 DD 79 C6 27 02 00 00 60 00 7A C6 27 02 00 00
{71} normal block at 0x00000227C679DC60, 16 bytes long.
Data: < !Q > 80 EA 21 51 F7 7F 00 00 00 00 00 00 00 00 00 00
{70} normal block at 0x00000227C679DEE0, 16 bytes long.
Data: <@ !Q > 40 E9 21 51 F7 7F 00 00 00 00 00 00 00 00 00 00
{69} normal block at 0x00000227C679D710, 16 bytes long.
Data: < W Q > F8 57 1E 51 F7 7F 00 00 00 00 00 00 00 00 00 00
{68} normal block at 0x00000227C679DBC0, 16 bytes long.
Data: < W Q > D8 57 1E 51 F7 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x00000227C679DD00, 16 bytes long.
Data: <P Q > 50 04 1E 51 F7 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x00000227C679E390, 16 bytes long.
Data: <0 Q > 30 04 1E 51 F7 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x00000227C679DC10, 16 bytes long.
Data: < Q > E0 02 1E 51 F7 7F 00 00 00 00 00 00 00 00 00 00
{64} normal block at 0x00000227C679E520, 16 bytes long.
Data: < Q > 10 04 1E 51 F7 7F 00 00 00 00 00 00 00 00 00 00
{63} normal block at 0x00000227C679E2F0, 16 bytes long.
Data: <p Q > 70 04 1E 51 F7 7F 00 00 00 00 00 00 00 00 00 00
{62} normal block at 0x00000227C679E3E0, 16 bytes long.
Data: < Q > 18 C0 1C 51 F7 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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