Task 38684616
| Name | test_665-GPUGRID_TEST_ATM_40STEP_20261023-37-40-RND8929_0 |
| Workunit | 31626124 |
| Created | 27 Oct 2026, 17:11:14 UTC |
| Sent | 27 Oct 2026, 17:11:21 UTC |
| Report deadline | 1 Nov 2026, 17:11:21 UTC |
| Received | 27 Oct 2026, 17:53:53 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 652497 |
| Run time | 21 min 7 sec |
| CPU time | 15 min 53 sec |
| Validate state | Valid |
| Credit | 60,000.00 |
| Device peak FLOPS | 57,419.31 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 751.01 MB |
| Peak swap size | 13.04 GB |
| Peak disk usage | 3.03 GB |
Stderr output
<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
12:32:54 (19252): wrapper (7.9.26016): starting
12:32:54 (19252): 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
12:32:55 (19252): Library/usr/bin/tar.exe exited; CPU time 0.000000
12:32:55 (19252): 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.
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
12:53:12 (19252): C:/Windows/system32/cmd.exe exited; CPU time 953.531250
12:53:12 (19252): 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: 22642003 bytes.
Dumping objects ->
{3835193} normal block at 0x000001C8A151D1F0, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835182} normal block at 0x000001C8A151D260, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835171} normal block at 0x000001C8A151D2D0, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{3835160} normal block at 0x000001C8A151D340, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835149} normal block at 0x000001C8A151D3B0, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{3835118} normal block at 0x000001C8A32D1830, 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) : {3835105} normal block at 0x000001C8A150CAE0, 8 bytes long.
Data: < M¡È > 00 00 4D A1 C8 01 00 00
{3833951} normal block at 0x000001C8A150C5E0, 8 bytes long.
Data: <@ê £È > 40 EA 1D A3 C8 01 00 00
..\zip\boinc_zip.cpp(122) : {307} normal block at 0x000001C8A150D500, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{292} normal block at 0x000001C8A150A810, 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 0x000001C8A151E7B0, 16 bytes long.
Data: < îQ¡È > 18 EE 51 A1 C8 01 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x000001C8A151E440, 16 bytes long.
Data: <ðíQ¡È > F0 ED 51 A1 C8 01 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x000001C8A151A550, 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 0x000001C8A151E080, 16 bytes long.
Data: <ÈíQ¡È > C8 ED 51 A1 C8 01 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x000001C8A151E580, 16 bytes long.
Data: < íQ¡È > A0 ED 51 A1 C8 01 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x000001C8A151DFE0, 16 bytes long.
Data: <xíQ¡È > 78 ED 51 A1 C8 01 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x000001C8A151E3A0, 16 bytes long.
Data: <PíQ¡È > 50 ED 51 A1 C8 01 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x000001C8A1519800, 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 0x000001C8A151DC20, 16 bytes long.
Data: <ظP¡È > D8 B8 50 A1 C8 01 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x000001C8A151A850, 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 0x000001C8A151DEA0, 16 bytes long.
Data: <°¸P¡È > B0 B8 50 A1 C8 01 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x000001C8A151DDB0, 16 bytes long.
Data: < ¸P¡È > 88 B8 50 A1 C8 01 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x000001C8A151E710, 16 bytes long.
Data: <`¸P¡È > 60 B8 50 A1 C8 01 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x000001C8A151DE00, 16 bytes long.
Data: <8¸P¡È > 38 B8 50 A1 C8 01 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x000001C8A151E030, 16 bytes long.
Data: < ¸P¡È > 10 B8 50 A1 C8 01 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x000001C8A151E530, 16 bytes long.
Data: <è·P¡È > E8 B7 50 A1 C8 01 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x000001C8A151A310, 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 0x000001C8A151E170, 16 bytes long.
Data: <À·P¡È > C0 B7 50 A1 C8 01 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x000001C8A150B7C0, 320 bytes long.
Data: <páQ¡È £Q¡È > 70 E1 51 A1 C8 01 00 00 10 A3 51 A1 C8 01 00 00
{271} normal block at 0x000001C8A151E8A0, 16 bytes long.
Data: <0íQ¡È > 30 ED 51 A1 C8 01 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x000001C8A151DF90, 16 bytes long.
Data: < íQ¡È > 08 ED 51 A1 C8 01 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x000001C8A151A790, 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 0x000001C8A151E350, 16 bytes long.
Data: <àìQ¡È > E0 EC 51 A1 C8 01 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x000001C8A151AD90, 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 0x000001C8A151E800, 16 bytes long.
Data: <(ìQ¡È > 28 EC 51 A1 C8 01 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x000001C8A151E760, 16 bytes long.
Data: < ìQ¡È > 00 EC 51 A1 C8 01 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x000001C8A151DF40, 16 bytes long.
Data: <ØëQ¡È > D8 EB 51 A1 C8 01 00 00 00 00 00 00 00 00 00 00
{263} normal block at 0x000001C8A151DD60, 16 bytes long.
Data: <°ëQ¡È > B0 EB 51 A1 C8 01 00 00 00 00 00 00 00 00 00 00
{262} normal block at 0x000001C8A151E850, 16 bytes long.
Data: < ëQ¡È > 88 EB 51 A1 C8 01 00 00 00 00 00 00 00 00 00 00
{261} normal block at 0x000001C8A151DEF0, 16 bytes long.
Data: <`ëQ¡È > 60 EB 51 A1 C8 01 00 00 00 00 00 00 00 00 00 00
{259} normal block at 0x000001C8A151E210, 16 bytes long.
Data: < ›Q¡È > 80 9B 51 A1 C8 01 00 00 00 00 00 00 00 00 00 00
{258} normal block at 0x000001C8A1519B80, 40 bytes long.
Data: < âQ¡È 0 -£È > 10 E2 51 A1 C8 01 00 00 30 18 2D A3 C8 01 00 00
{257} normal block at 0x000001C8A151E0D0, 16 bytes long.
Data: <@ëQ¡È > 40 EB 51 A1 C8 01 00 00 00 00 00 00 00 00 00 00
{256} normal block at 0x000001C8A151E670, 16 bytes long.
Data: < ëQ¡È > 18 EB 51 A1 C8 01 00 00 00 00 00 00 00 00 00 00
{255} normal block at 0x000001C8A151AF10, 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 0x000001C8A151DB30, 16 bytes long.
Data: <ðêQ¡È > F0 EA 51 A1 C8 01 00 00 00 00 00 00 00 00 00 00
{253} normal block at 0x000001C8A151EAF0, 992 bytes long.
Data: <0ÛQ¡È ¯Q¡È > 30 DB 51 A1 C8 01 00 00 10 AF 51 A1 C8 01 00 00
{89} normal block at 0x000001C8A151AB50, 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 0x000001C8A150CA90, 16 bytes long.
Data: <`œQ¡È > 60 9C 51 A1 C8 01 00 00 00 00 00 00 00 00 00 00
{87} normal block at 0x000001C8A1519C60, 40 bytes long.
Data: < ÊP¡È P«Q¡È > 90 CA 50 A1 C8 01 00 00 50 AB 51 A1 C8 01 00 00
{66} normal block at 0x000001C8A150C8B0, 16 bytes long.
Data: < ê/èö > 80 EA 2F E8 F6 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x000001C8A150D1C0, 16 bytes long.
Data: <@é/èö > 40 E9 2F E8 F6 7F 00 00 00 00 00 00 00 00 00 00
{64} normal block at 0x000001C8A150D0D0, 16 bytes long.
Data: <øW,èö > F8 57 2C E8 F6 7F 00 00 00 00 00 00 00 00 00 00
{63} normal block at 0x000001C8A150C310, 16 bytes long.
Data: <ØW,èö > D8 57 2C E8 F6 7F 00 00 00 00 00 00 00 00 00 00
{62} normal block at 0x000001C8A150CB30, 16 bytes long.
Data: <P ,èö > 50 04 2C E8 F6 7F 00 00 00 00 00 00 00 00 00 00
{61} normal block at 0x000001C8A150C9A0, 16 bytes long.
Data: <0 ,èö > 30 04 2C E8 F6 7F 00 00 00 00 00 00 00 00 00 00
{60} normal block at 0x000001C8A150D080, 16 bytes long.
Data: <à ,èö > E0 02 2C E8 F6 7F 00 00 00 00 00 00 00 00 00 00
{59} normal block at 0x000001C8A150CD10, 16 bytes long.
Data: < ,èö > 10 04 2C E8 F6 7F 00 00 00 00 00 00 00 00 00 00
{58} normal block at 0x000001C8A150CEA0, 16 bytes long.
Data: <p ,èö > 70 04 2C E8 F6 7F 00 00 00 00 00 00 00 00 00 00
{57} normal block at 0x000001C8A150C590, 16 bytes long.
Data: < À*èö > 18 C0 2A E8 F6 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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