Task 38670112
| Name | test_183-GPUGRID_TEST_ATM_40STEP_20261023-22-40-RND5057_0 |
| Workunit | 31612386 |
| Created | 25 Oct 2026, 16:31:10 UTC |
| Sent | 25 Oct 2026, 16:31:25 UTC |
| Report deadline | 30 Oct 2026, 16:31:25 UTC |
| Received | 26 Oct 2026, 13:09:32 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 652765 |
| Run time | 1 hours 20 min 22 sec |
| CPU time | 1 hours 18 min 44 sec |
| Validate state | Valid |
| Credit | 60,000.00 |
| Device peak FLOPS | 5,156.44 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 721.29 MB |
| Peak swap size | 12.75 GB |
| Peak disk usage | 3.24 GB |
Stderr output
<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
19:12:50 (4700): wrapper (7.9.26016): starting
19:12:50 (4700): 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
19:12:54 (4700): Library/usr/bin/tar.exe exited; CPU time 0.000000
19:12:54 (4700): 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.
13:45:14 (14236): wrapper (7.9.26016): starting
13:45:14 (14236): 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: r*/*.xtc: Cannot stat: No such file or directory
tar: Exiting with failure status due to previous errors
14:09:01 (14236): C:/Windows/system32/cmd.exe exited; CPU time 1426.031250
14:09:01 (14236): 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: 17181792 bytes.
Dumping objects ->
{1536} normal block at 0x0000027D79645410, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1525} normal block at 0x0000027D79645720, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1514} normal block at 0x0000027D79645330, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{1503} normal block at 0x0000027D79645A30, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1492} normal block at 0x0000027D796453A0, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{1461} normal block at 0x0000027D7962FAF0, 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) : {1448} normal block at 0x0000027D79644010, 8 bytes long.
Data: < y} > 00 00 BD 79 7D 02 00 00
{301} normal block at 0x0000027D79644600, 8 bytes long.
Data: < _dy} > 10 5F 64 79 7D 02 00 00
{292} normal block at 0x0000027D79636A40, 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 0x0000027D79644B50, 16 bytes long.
Data: < ^dy} > 18 5E 64 79 7D 02 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x0000027D79644880, 16 bytes long.
Data: < ]dy} > F0 5D 64 79 7D 02 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x0000027D7963F290, 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 0x0000027D79644830, 16 bytes long.
Data: < ]dy} > C8 5D 64 79 7D 02 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x0000027D79644330, 16 bytes long.
Data: < ]dy} > A0 5D 64 79 7D 02 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x0000027D796442E0, 16 bytes long.
Data: <x]dy} > 78 5D 64 79 7D 02 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x0000027D79644290, 16 bytes long.
Data: <P]dy} > 50 5D 64 79 7D 02 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x0000027D79645950, 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 0x0000027D79644510, 16 bytes long.
Data: <h by} > 68 F6 62 79 7D 02 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x0000027D7963EC30, 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 0x0000027D79644240, 16 bytes long.
Data: <@ by} > 40 F6 62 79 7D 02 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x0000027D796441F0, 16 bytes long.
Data: < by} > 18 F6 62 79 7D 02 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x0000027D796447E0, 16 bytes long.
Data: < by} > F0 F5 62 79 7D 02 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x0000027D79644B00, 16 bytes long.
Data: < by} > C8 F5 62 79 7D 02 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x0000027D79644790, 16 bytes long.
Data: < by} > A0 F5 62 79 7D 02 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x0000027D79644A60, 16 bytes long.
Data: <x by} > 78 F5 62 79 7D 02 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x0000027D7963F050, 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 0x0000027D796441A0, 16 bytes long.
Data: <P by} > 50 F5 62 79 7D 02 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x0000027D7962F550, 320 bytes long.
Data: < Ady} P cy} > A0 41 64 79 7D 02 00 00 50 F0 63 79 7D 02 00 00
{271} normal block at 0x0000027D79644150, 16 bytes long.
Data: <0]dy} > 30 5D 64 79 7D 02 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x0000027D79644D30, 16 bytes long.
Data: < ]dy} > 08 5D 64 79 7D 02 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x0000027D7963F9B0, 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 0x0000027D79643FC0, 16 bytes long.
Data: < \dy} > E0 5C 64 79 7D 02 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x0000027D7963F590, 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 0x0000027D79643F20, 16 bytes long.
Data: <(\dy} > 28 5C 64 79 7D 02 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x0000027D796449C0, 16 bytes long.
Data: < \dy} > 00 5C 64 79 7D 02 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x0000027D79644970, 16 bytes long.
Data: < [dy} > D8 5B 64 79 7D 02 00 00 00 00 00 00 00 00 00 00
{263} normal block at 0x0000027D79644100, 16 bytes long.
Data: < [dy} > B0 5B 64 79 7D 02 00 00 00 00 00 00 00 00 00 00
{262} normal block at 0x0000027D796445B0, 16 bytes long.
Data: < [dy} > 88 5B 64 79 7D 02 00 00 00 00 00 00 00 00 00 00
{261} normal block at 0x0000027D79644CE0, 16 bytes long.
Data: <`[dy} > 60 5B 64 79 7D 02 00 00 00 00 00 00 00 00 00 00
{259} normal block at 0x0000027D79644560, 16 bytes long.
Data: < Ydy} > C0 59 64 79 7D 02 00 00 00 00 00 00 00 00 00 00
{258} normal block at 0x0000027D796459C0, 40 bytes long.
Data: <`Edy} by} > 60 45 64 79 7D 02 00 00 F0 FA 62 79 7D 02 00 00
{257} normal block at 0x0000027D79644AB0, 16 bytes long.
Data: <@[dy} > 40 5B 64 79 7D 02 00 00 00 00 00 00 00 00 00 00
{256} normal block at 0x0000027D79643F70, 16 bytes long.
Data: < [dy} > 18 5B 64 79 7D 02 00 00 00 00 00 00 00 00 00 00
{255} normal block at 0x0000027D7963F410, 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 0x0000027D79644E70, 16 bytes long.
Data: < Zdy} > F0 5A 64 79 7D 02 00 00 00 00 00 00 00 00 00 00
{253} normal block at 0x0000027D79645AF0, 992 bytes long.
Data: <pNdy} cy} > 70 4E 64 79 7D 02 00 00 10 F4 63 79 7D 02 00 00
{89} normal block at 0x0000027D7963EED0, 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 0x0000027D7962DB20, 16 bytes long.
Data: < by} > 10 CB 62 79 7D 02 00 00 00 00 00 00 00 00 00 00
{87} normal block at 0x0000027D7962CB10, 40 bytes long.
Data: < by} cy} > 20 DB 62 79 7D 02 00 00 D0 EE 63 79 7D 02 00 00
{66} normal block at 0x0000027D7962E200, 16 bytes long.
Data: < > 80 EA AB AF F7 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x0000027D7962DCB0, 16 bytes long.
Data: <@ > 40 E9 AB AF F7 7F 00 00 00 00 00 00 00 00 00 00
{64} normal block at 0x0000027D7962E070, 16 bytes long.
Data: < W > F8 57 A8 AF F7 7F 00 00 00 00 00 00 00 00 00 00
{63} normal block at 0x0000027D7962E110, 16 bytes long.
Data: < W > D8 57 A8 AF F7 7F 00 00 00 00 00 00 00 00 00 00
{62} normal block at 0x0000027D7962DEE0, 16 bytes long.
Data: <P > 50 04 A8 AF F7 7F 00 00 00 00 00 00 00 00 00 00
{61} normal block at 0x0000027D7962DD50, 16 bytes long.
Data: <0 > 30 04 A8 AF F7 7F 00 00 00 00 00 00 00 00 00 00
{60} normal block at 0x0000027D7962E1B0, 16 bytes long.
Data: < > E0 02 A8 AF F7 7F 00 00 00 00 00 00 00 00 00 00
{59} normal block at 0x0000027D7962E020, 16 bytes long.
Data: < > 10 04 A8 AF F7 7F 00 00 00 00 00 00 00 00 00 00
{58} normal block at 0x0000027D7962DDF0, 16 bytes long.
Data: <p > 70 04 A8 AF F7 7F 00 00 00 00 00 00 00 00 00 00
{57} normal block at 0x0000027D7962DFD0, 16 bytes long.
Data: < > 18 C0 A6 AF F7 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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