Task 38674287
| Name | test_38-GPUGRID_TEST_ATM_40STEP_20261023-24-40-RND1102_0 |
| Workunit | 31616332 |
| Created | 26 Oct 2026, 4:50:05 UTC |
| Sent | 26 Oct 2026, 4:50:13 UTC |
| Report deadline | 31 Oct 2026, 4:50:13 UTC |
| Received | 26 Oct 2026, 14:28:58 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 654663 |
| Run time | 22 min 10 sec |
| CPU time | 16 min 46 sec |
| Validate state | Valid |
| Credit | 60,000.00 |
| Device peak FLOPS | 82,578.99 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 719.46 MB |
| Peak swap size | 8.62 GB |
| Peak disk usage | 3.03 GB |
Stderr output
<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
06:13:39 (14760): wrapper (7.9.26016): starting
06:13:39 (14760): 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
06:13:40 (14760): Library/usr/bin/tar.exe exited; CPU time 0.015625
06:13:40 (14760): 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.
15:14:42 (22408): wrapper (7.9.26016): starting
15:14:42 (22408): 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\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
15:28:30 (22408): C:/Windows/system32/cmd.exe exited; CPU time 641.218750
15:28:30 (22408): called boinc_finish(0)
0 bytes in 0 Free Blocks.
460 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: 17874950 bytes.
Dumping objects ->
{1564} normal block at 0x000001BA1ABB5360, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1553} normal block at 0x000001BA1ABB4FE0, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1542} normal block at 0x000001BA1ABB51A0, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{1531} normal block at 0x000001BA1ABB5590, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1520} normal block at 0x000001BA1ABB5280, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{1489} normal block at 0x000001BA1ABAF340, 64 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1478} normal block at 0x000001BA1AB9C580, 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) : {1475} normal block at 0x000001BA1ABB5CA0, 8 bytes long.
Data: < > 00 00 0F 1B BA 01 00 00
{881} normal block at 0x000001BA1AB9B880, 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 0x000001BA1ABB62E0, 8 bytes long.
Data: <0p > 30 70 BB 1A BA 01 00 00
{297} normal block at 0x000001BA1ABA6790, 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 0x000001BA1ABB6150, 16 bytes long.
Data: <8o > 38 6F BB 1A BA 01 00 00 00 00 00 00 00 00 00 00
{295} normal block at 0x000001BA1ABB6A60, 16 bytes long.
Data: < o > 10 6F BB 1A BA 01 00 00 00 00 00 00 00 00 00 00
{294} normal block at 0x000001BA1ABAFBC0, 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 0x000001BA1ABB5C50, 16 bytes long.
Data: < n > E8 6E BB 1A BA 01 00 00 00 00 00 00 00 00 00 00
{292} normal block at 0x000001BA1ABB5D90, 16 bytes long.
Data: < n > C0 6E BB 1A BA 01 00 00 00 00 00 00 00 00 00 00
{291} normal block at 0x000001BA1ABB5F70, 16 bytes long.
Data: < n > 98 6E BB 1A BA 01 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x000001BA1ABB6A10, 16 bytes long.
Data: <pn > 70 6E BB 1A BA 01 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x000001BA1ABB5440, 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 0x000001BA1ABB5FC0, 16 bytes long.
Data: < > 18 8D BA 1A BA 01 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x000001BA1ABB04C0, 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 0x000001BA1ABB68D0, 16 bytes long.
Data: < > F0 8C BA 1A BA 01 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x000001BA1ABB6100, 16 bytes long.
Data: < > C8 8C BA 1A BA 01 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x000001BA1ABB5E80, 16 bytes long.
Data: < > A0 8C BA 1A BA 01 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x000001BA1ABB6880, 16 bytes long.
Data: <x > 78 8C BA 1A BA 01 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x000001BA1ABB6060, 16 bytes long.
Data: <P > 50 8C BA 1A BA 01 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x000001BA1ABB6BA0, 16 bytes long.
Data: <( > 28 8C BA 1A BA 01 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x000001BA1ABAF980, 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 0x000001BA1ABB5F20, 16 bytes long.
Data: < > 00 8C BA 1A BA 01 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x000001BA1ABA8C00, 320 bytes long.
Data: < _ > 20 5F BB 1A BA 01 00 00 80 F9 BA 1A BA 01 00 00
{276} normal block at 0x000001BA1ABB69C0, 16 bytes long.
Data: <Pn > 50 6E BB 1A BA 01 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x000001BA1ABB6790, 16 bytes long.
Data: <(n > 28 6E BB 1A BA 01 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x000001BA1ABAFB00, 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 0x000001BA1ABB6970, 16 bytes long.
Data: < n > 00 6E BB 1A BA 01 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x000001BA1ABB03A0, 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 0x000001BA1ABB6740, 16 bytes long.
Data: <Hm > 48 6D BB 1A BA 01 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x000001BA1ABB60B0, 16 bytes long.
Data: < m > 20 6D BB 1A BA 01 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x000001BA1ABB5E30, 16 bytes long.
Data: < l > F8 6C BB 1A BA 01 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x000001BA1ABB61A0, 16 bytes long.
Data: < l > D0 6C BB 1A BA 01 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x000001BA1ABB6920, 16 bytes long.
Data: < l > A8 6C BB 1A BA 01 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x000001BA1ABB6650, 16 bytes long.
Data: < l > 80 6C BB 1A BA 01 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x000001BA1ABB6470, 16 bytes long.
Data: < N > 90 4E BB 1A BA 01 00 00 00 00 00 00 00 00 00 00
{263} normal block at 0x000001BA1ABB4E90, 40 bytes long.
Data: <pd @ > 70 64 BB 1A BA 01 00 00 40 F3 BA 1A BA 01 00 00
{262} normal block at 0x000001BA1ABB5ED0, 16 bytes long.
Data: <`l > 60 6C BB 1A BA 01 00 00 00 00 00 00 00 00 00 00
{261} normal block at 0x000001BA1ABB5D40, 16 bytes long.
Data: <8l > 38 6C BB 1A BA 01 00 00 00 00 00 00 00 00 00 00
{260} normal block at 0x000001BA1ABB05E0, 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 0x000001BA1ABB6B50, 16 bytes long.
Data: < l > 10 6C BB 1A BA 01 00 00 00 00 00 00 00 00 00 00
{258} normal block at 0x000001BA1ABB6C10, 992 bytes long.
Data: <Pk > 50 6B BB 1A BA 01 00 00 E0 05 BB 1A BA 01 00 00
{94} normal block at 0x000001BA1ABB0100, 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 0x000001BA1ABAD810, 16 bytes long.
Data: < R > F0 52 BB 1A BA 01 00 00 00 00 00 00 00 00 00 00
{92} normal block at 0x000001BA1ABB52F0, 40 bytes long.
Data: < > 10 D8 BA 1A BA 01 00 00 00 01 BB 1A BA 01 00 00
{71} normal block at 0x000001BA1ABAD7C0, 16 bytes long.
Data: < > 80 EA 18 0C F7 7F 00 00 00 00 00 00 00 00 00 00
{70} normal block at 0x000001BA1ABAE0D0, 16 bytes long.
Data: <@ > 40 E9 18 0C F7 7F 00 00 00 00 00 00 00 00 00 00
{69} normal block at 0x000001BA1ABADDB0, 16 bytes long.
Data: < W > F8 57 15 0C F7 7F 00 00 00 00 00 00 00 00 00 00
{68} normal block at 0x000001BA1ABAD9F0, 16 bytes long.
Data: < W > D8 57 15 0C F7 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x000001BA1ABADFE0, 16 bytes long.
Data: <P > 50 04 15 0C F7 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x000001BA1ABAD770, 16 bytes long.
Data: <0 > 30 04 15 0C F7 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x000001BA1ABAD860, 16 bytes long.
Data: < > E0 02 15 0C F7 7F 00 00 00 00 00 00 00 00 00 00
{64} normal block at 0x000001BA1ABAD720, 16 bytes long.
Data: < > 10 04 15 0C F7 7F 00 00 00 00 00 00 00 00 00 00
{63} normal block at 0x000001BA1ABAD6D0, 16 bytes long.
Data: <p > 70 04 15 0C F7 7F 00 00 00 00 00 00 00 00 00 00
{62} normal block at 0x000001BA1ABADAE0, 16 bytes long.
Data: < > 18 C0 13 0C F7 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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