Task 38680388
| Name | test_361-GPUGRID_TEST_ATM_40STEP_20261023-20-40-RND9965_0 |
| Workunit | 31622110 |
| Created | 26 Oct 2026, 23:46:05 UTC |
| Sent | 26 Oct 2026, 23:46:10 UTC |
| Report deadline | 31 Oct 2026, 23:46:10 UTC |
| Received | 27 Oct 2026, 1:59:29 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 652808 |
| Run time | 41 min 7 sec |
| CPU time | 37 min 53 sec |
| Validate state | Valid |
| Credit | 60,000.00 |
| Device peak FLOPS | 20,847.14 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 705.75 MB |
| Peak swap size | 5.39 GB |
| Peak disk usage | 3.03 GB |
Stderr output
<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
02:18:13 (7100): wrapper (7.9.26016): starting
02:18:13 (7100): 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
02:18:14 (7100): Library/usr/bin/tar.exe exited; CPU time 0.000000
02:18:14 (7100): 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
02:58:58 (7100): C:/Windows/system32/cmd.exe exited; CPU time 2273.812500
02:58:58 (7100): 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: 40869035 bytes.
Dumping objects ->
{3835197} normal block at 0x0000013103F08310, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835186} normal block at 0x0000013102174EE0, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835175} normal block at 0x0000013102174E70, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{3835164} normal block at 0x0000013102174E00, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835153} normal block at 0x0000013102174D90, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{3835122} normal block at 0x0000013103EB9EE0, 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) : {3835109} normal block at 0x0000013102170050, 8 bytes long.
Data: < k 1 > 00 00 6B 02 31 01 00 00
{3833961} normal block at 0x000001310216F6A0, 8 bytes long.
Data: < Ü 1 > 10 DC 15 02 31 01 00 00
..\zip\boinc_zip.cpp(122) : {312} normal block at 0x0000013102171F60, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{297} normal block at 0x0000013102166190, 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 0x0000013102176630, 16 bytes long.
Data: <Èi 1 > C8 69 17 02 31 01 00 00 00 00 00 00 00 00 00 00
{295} normal block at 0x0000013102175E10, 16 bytes long.
Data: < i 1 > A0 69 17 02 31 01 00 00 00 00 00 00 00 00 00 00
{294} normal block at 0x000001310216D2A0, 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 0x0000013102175DC0, 16 bytes long.
Data: <xi 1 > 78 69 17 02 31 01 00 00 00 00 00 00 00 00 00 00
{292} normal block at 0x00000131021761D0, 16 bytes long.
Data: <Pi 1 > 50 69 17 02 31 01 00 00 00 00 00 00 00 00 00 00
{291} normal block at 0x0000013102175A50, 16 bytes long.
Data: <(i 1 > 28 69 17 02 31 01 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x0000013102175D20, 16 bytes long.
Data: < i 1 > 00 69 17 02 31 01 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x00000131021753B0, 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 0x00000131021763B0, 16 bytes long.
Data: < 1 > 08 8F 16 02 31 01 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x000001310216D780, 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 0x0000013102175CD0, 16 bytes long.
Data: <àŽ 1 > E0 8E 16 02 31 01 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x00000131021757D0, 16 bytes long.
Data: <¸Ž 1 > B8 8E 16 02 31 01 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x0000013102175B40, 16 bytes long.
Data: < Ž 1 > 90 8E 16 02 31 01 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x0000013102176360, 16 bytes long.
Data: <hŽ 1 > 68 8E 16 02 31 01 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x0000013102175730, 16 bytes long.
Data: <@Ž 1 > 40 8E 16 02 31 01 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x0000013102176130, 16 bytes long.
Data: < Ž 1 > 18 8E 16 02 31 01 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x000001310216D5A0, 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 0x0000013102176270, 16 bytes long.
Data: <ð 1 > F0 8D 16 02 31 01 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x0000013102168DF0, 320 bytes long.
Data: <pb 1  Õ 1 > 70 62 17 02 31 01 00 00 A0 D5 16 02 31 01 00 00
{276} normal block at 0x0000013102175AF0, 16 bytes long.
Data: <àh 1 > E0 68 17 02 31 01 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x00000131021759B0, 16 bytes long.
Data: <¸h 1 > B8 68 17 02 31 01 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x000001310216D420, 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 0x0000013102176540, 16 bytes long.
Data: < h 1 > 90 68 17 02 31 01 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x000001310216D180, 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 0x0000013102175C80, 16 bytes long.
Data: <Øg 1 > D8 67 17 02 31 01 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x0000013102176310, 16 bytes long.
Data: <°g 1 > B0 67 17 02 31 01 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x00000131021756E0, 16 bytes long.
Data: < g 1 > 88 67 17 02 31 01 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x00000131021762C0, 16 bytes long.
Data: <`g 1 > 60 67 17 02 31 01 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x00000131021758C0, 16 bytes long.
Data: <8g 1 > 38 67 17 02 31 01 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x0000013102175D70, 16 bytes long.
Data: < g 1 > 10 67 17 02 31 01 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x0000013102175FA0, 16 bytes long.
Data: <PO 1 > 50 4F 17 02 31 01 00 00 00 00 00 00 00 00 00 00
{263} normal block at 0x0000013102174F50, 40 bytes long.
Data: < _ 1 àžë 1 > A0 5F 17 02 31 01 00 00 E0 9E EB 03 31 01 00 00
{262} normal block at 0x0000013102175960, 16 bytes long.
Data: <ðf 1 > F0 66 17 02 31 01 00 00 00 00 00 00 00 00 00 00
{261} normal block at 0x0000013102176590, 16 bytes long.
Data: <Èf 1 > C8 66 17 02 31 01 00 00 00 00 00 00 00 00 00 00
{260} normal block at 0x000001310216D600, 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 0x0000013102175780, 16 bytes long.
Data: < f 1 > A0 66 17 02 31 01 00 00 00 00 00 00 00 00 00 00
{258} normal block at 0x00000131021766A0, 992 bytes long.
Data: < W 1 Ö 1 > 80 57 17 02 31 01 00 00 00 D6 16 02 31 01 00 00
{94} normal block at 0x000001310216DF60, 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 0x000001310216FA60, 16 bytes long.
Data: < í 1 > 80 ED 16 02 31 01 00 00 00 00 00 00 00 00 00 00
{92} normal block at 0x000001310216ED80, 40 bytes long.
Data: <`ú 1 `ß 1 > 60 FA 16 02 31 01 00 00 60 DF 16 02 31 01 00 00
{71} normal block at 0x000001310216F2E0, 16 bytes long.
Data: < ê² ö > 80 EA B2 09 F6 7F 00 00 00 00 00 00 00 00 00 00
{70} normal block at 0x000001310216F650, 16 bytes long.
Data: <@é² ö > 40 E9 B2 09 F6 7F 00 00 00 00 00 00 00 00 00 00
{69} normal block at 0x000001310216FEC0, 16 bytes long.
Data: <øW¯ ö > F8 57 AF 09 F6 7F 00 00 00 00 00 00 00 00 00 00
{68} normal block at 0x000001310216F290, 16 bytes long.
Data: <ØW¯ ö > D8 57 AF 09 F6 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x000001310216F9C0, 16 bytes long.
Data: <P ¯ ö > 50 04 AF 09 F6 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x000001310216FE70, 16 bytes long.
Data: <0 ¯ ö > 30 04 AF 09 F6 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x000001310216FFB0, 16 bytes long.
Data: <à ¯ ö > E0 02 AF 09 F6 7F 00 00 00 00 00 00 00 00 00 00
{64} normal block at 0x000001310216FE20, 16 bytes long.
Data: < ¯ ö > 10 04 AF 09 F6 7F 00 00 00 00 00 00 00 00 00 00
{63} normal block at 0x0000013102170000, 16 bytes long.
Data: <p ¯ ö > 70 04 AF 09 F6 7F 00 00 00 00 00 00 00 00 00 00
{62} normal block at 0x000001310216FC40, 16 bytes long.
Data: < À­ ö > 18 C0 AD 09 F6 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
©2026 Universitat Pompeu Fabra