Task 38684161
| Name | test_947-GPUGRID_TEST_ATM_40STEP_20261023-12-40-RND7699_0 |
| Workunit | 31625682 |
| Created | 27 Oct 2026, 14:58:15 UTC |
| Sent | 27 Oct 2026, 14:58:21 UTC |
| Report deadline | 1 Nov 2026, 14:58:21 UTC |
| Received | 27 Oct 2026, 16:01:44 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 652497 |
| Run time | 21 min 12 sec |
| CPU time | 15 min 46 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 | 748.02 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>
10:40:46 (2120): wrapper (7.9.26016): starting
10:40:46 (2120): 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
10:40:47 (2120): Library/usr/bin/tar.exe exited; CPU time 0.000000
10:40:47 (2120): 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
11:01:10 (2120): C:/Windows/system32/cmd.exe exited; CPU time 946.625000
11:01:10 (2120): 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: 22768733 bytes.
Dumping objects ->
{3835193} normal block at 0x0000028321DCD420, 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 0x0000028321DCD9D0, 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 0x0000028321DCD180, 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 0x0000028321DCD110, 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 0x0000028321DCD650, 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 0x0000028323A0C6B0, 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 0x0000028321DBC900, 8 bytes long.
Data: < Ö!ƒ > 00 00 D6 21 83 02 00 00
{3833951} normal block at 0x0000028321DBC810, 8 bytes long.
Data: <@ê‘#ƒ > 40 EA 91 23 83 02 00 00
..\zip\boinc_zip.cpp(122) : {307} normal block at 0x0000028321DBDC80, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{292} normal block at 0x0000028321DBA5D0, 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 0x0000028321DCE030, 16 bytes long.
Data: < îÜ!ƒ > 18 EE DC 21 83 02 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x0000028321DCDFE0, 16 bytes long.
Data: <ðíÜ!ƒ > F0 ED DC 21 83 02 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x0000028321DCA910, 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 0x0000028321DCDF40, 16 bytes long.
Data: <ÈíÜ!ƒ > C8 ED DC 21 83 02 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x0000028321DCE3A0, 16 bytes long.
Data: < íÜ!ƒ > A0 ED DC 21 83 02 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x0000028321DCE6C0, 16 bytes long.
Data: <xíÜ!ƒ > 78 ED DC 21 83 02 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x0000028321DCE620, 16 bytes long.
Data: <PíÜ!ƒ > 50 ED DC 21 83 02 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x0000028321DC9BF0, 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 0x0000028321DCE5D0, 16 bytes long.
Data: <8ºÛ!ƒ > 38 BA DB 21 83 02 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x0000028321DCA190, 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 0x0000028321DCDEF0, 16 bytes long.
Data: < ºÛ!ƒ > 10 BA DB 21 83 02 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x0000028321DCE850, 16 bytes long.
Data: <è¹Û!ƒ > E8 B9 DB 21 83 02 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x0000028321DCE3F0, 16 bytes long.
Data: <À¹Û!ƒ > C0 B9 DB 21 83 02 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x0000028321DCE120, 16 bytes long.
Data: < ¹Û!ƒ > 98 B9 DB 21 83 02 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x0000028321DCE7B0, 16 bytes long.
Data: <p¹Û!ƒ > 70 B9 DB 21 83 02 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x0000028321DCE350, 16 bytes long.
Data: <H¹Û!ƒ > 48 B9 DB 21 83 02 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x0000028321DCA250, 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 0x0000028321DCDF90, 16 bytes long.
Data: < ¹Û!ƒ > 20 B9 DB 21 83 02 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x0000028321DBB920, 320 bytes long.
Data: < ßÜ!ƒ P¢Ü!ƒ > 90 DF DC 21 83 02 00 00 50 A2 DC 21 83 02 00 00
{271} normal block at 0x0000028321DCE300, 16 bytes long.
Data: <0íÜ!ƒ > 30 ED DC 21 83 02 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x0000028321DCDE00, 16 bytes long.
Data: < íÜ!ƒ > 08 ED DC 21 83 02 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x0000028321DCA130, 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 0x0000028321DCDDB0, 16 bytes long.
Data: <àìÜ!ƒ > E0 EC DC 21 83 02 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x0000028321DCA550, 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 0x0000028321DCDD60, 16 bytes long.
Data: <(ìÜ!ƒ > 28 EC DC 21 83 02 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x0000028321DCDD10, 16 bytes long.
Data: < ìÜ!ƒ > 00 EC DC 21 83 02 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x0000028321DCDC70, 16 bytes long.
Data: <ØëÜ!ƒ > D8 EB DC 21 83 02 00 00 00 00 00 00 00 00 00 00
{263} normal block at 0x0000028321DCDEA0, 16 bytes long.
Data: <°ëÜ!ƒ > B0 EB DC 21 83 02 00 00 00 00 00 00 00 00 00 00
{262} normal block at 0x0000028321DCE080, 16 bytes long.
Data: < ëÜ!ƒ > 88 EB DC 21 83 02 00 00 00 00 00 00 00 00 00 00
{261} normal block at 0x0000028321DCDC20, 16 bytes long.
Data: <`ëÜ!ƒ > 60 EB DC 21 83 02 00 00 00 00 00 00 00 00 00 00
{259} normal block at 0x0000028321DCDBD0, 16 bytes long.
Data: <p Ü!ƒ > 70 98 DC 21 83 02 00 00 00 00 00 00 00 00 00 00
{258} normal block at 0x0000028321DC9870, 40 bytes long.
Data: <ÐÛÜ!ƒ °Æ #ƒ > D0 DB DC 21 83 02 00 00 B0 C6 A0 23 83 02 00 00
{257} normal block at 0x0000028321DCDB80, 16 bytes long.
Data: <@ëÜ!ƒ > 40 EB DC 21 83 02 00 00 00 00 00 00 00 00 00 00
{256} normal block at 0x0000028321DCE530, 16 bytes long.
Data: < ëÜ!ƒ > 18 EB DC 21 83 02 00 00 00 00 00 00 00 00 00 00
{255} normal block at 0x0000028321DCA430, 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 0x0000028321DCE490, 16 bytes long.
Data: <ðêÜ!ƒ > F0 EA DC 21 83 02 00 00 00 00 00 00 00 00 00 00
{253} normal block at 0x0000028321DCEAF0, 992 bytes long.
Data: < äÜ!ƒ 0¤Ü!ƒ > 90 E4 DC 21 83 02 00 00 30 A4 DC 21 83 02 00 00
{89} normal block at 0x0000028321DCAA30, 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 0x0000028321DBC7C0, 16 bytes long.
Data: < ›Ü!ƒ > 10 9B DC 21 83 02 00 00 00 00 00 00 00 00 00 00
{87} normal block at 0x0000028321DC9B10, 40 bytes long.
Data: <ÀÇÛ!ƒ 0ªÜ!ƒ > C0 C7 DB 21 83 02 00 00 30 AA DC 21 83 02 00 00
{66} normal block at 0x0000028321DBCB30, 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 0x0000028321DBCCC0, 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 0x0000028321DBC720, 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 0x0000028321DBCA90, 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 0x0000028321DBCC70, 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 0x0000028321DBCC20, 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 0x0000028321DBCF40, 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 0x0000028321DBCD10, 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 0x0000028321DBC310, 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 0x0000028321DBC630, 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>
]]>
©2026 Universitat Pompeu Fabra