Task 38684387
| Name | test_563-GPUGRID_TEST_ATM_40STEP_20261023-34-40-RND8357_0 |
| Workunit | 31625902 |
| Created | 27 Oct 2026, 16:04:47 UTC |
| Sent | 27 Oct 2026, 16:04:52 UTC |
| Report deadline | 1 Nov 2026, 16:04:52 UTC |
| Received | 27 Oct 2026, 17:27:08 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 632099 |
| Run time | 27 min 27 sec |
| CPU time | 27 min 21 sec |
| Validate state | Valid |
| Credit | 60,000.00 |
| Device peak FLOPS | 30,032.43 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 730.99 MB |
| Peak swap size | 12.96 GB |
| Peak disk usage | 3.03 GB |
Stderr output
<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
17:59:45 (13868): wrapper (7.9.26016): starting
17:59:45 (13868): 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
17:59:46 (13868): Library/usr/bin/tar.exe exited; CPU time 0.000000
17:59:46 (13868): 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\9\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\9\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
18:26:26 (13868): C:/Windows/system32/cmd.exe exited; CPU time 1641.046875
18:26:26 (13868): called boinc_finish(0)
0 bytes in 0 Free Blocks.
576 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: 22667323 bytes.
Dumping objects ->
{3835270} normal block at 0x00000230B4286510, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835259} normal block at 0x00000230B4285B00, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835248} normal block at 0x00000230B4285D30, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{3835237} normal block at 0x00000230B42863C0, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835226} normal block at 0x00000230B42858D0, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{3835195} normal block at 0x00000230B5E2BA80, 64 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835184} normal block at 0x00000230B5ED23F0, 160 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) : {3835181} normal block at 0x00000230B4256C40, 8 bytes long.
Data: < ´0 > 00 00 1F B4 30 02 00 00
{3834569} normal block at 0x00000230B5ED2770, 160 bytes long.
Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65
{3833957} normal block at 0x00000230B4256510, 8 bytes long.
Data: < Ü3´0 > 80 DC 33 B4 30 02 00 00
..\zip\boinc_zip.cpp(122) : {310} normal block at 0x00000230B4260FF0, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{295} normal block at 0x00000230B4245D80, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{294} normal block at 0x00000230B4262940, 16 bytes long.
Data: <(6&´0 > 28 36 26 B4 30 02 00 00 00 00 00 00 00 00 00 00
{293} normal block at 0x00000230B4262990, 16 bytes long.
Data: < 6&´0 > 00 36 26 B4 30 02 00 00 00 00 00 00 00 00 00 00
{292} normal block at 0x00000230B425CBC0, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{291} normal block at 0x00000230B4262DF0, 16 bytes long.
Data: <Ø5&´0 > D8 35 26 B4 30 02 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x00000230B42622B0, 16 bytes long.
Data: <°5&´0 > B0 35 26 B4 30 02 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x00000230B4262350, 16 bytes long.
Data: < 5&´0 > 88 35 26 B4 30 02 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x00000230B4262260, 16 bytes long.
Data: <`5&´0 > 60 35 26 B4 30 02 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x00000230B425EBA0, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{286} normal block at 0x00000230B4262E90, 16 bytes long.
Data: < ]$´0 > 18 5D 24 B4 30 02 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x00000230B425CC20, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{284} normal block at 0x00000230B4262B20, 16 bytes long.
Data: <ð\$´0 > F0 5C 24 B4 30 02 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x00000230B4262530, 16 bytes long.
Data: <È\$´0 > C8 5C 24 B4 30 02 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x00000230B42624E0, 16 bytes long.
Data: < \$´0 > A0 5C 24 B4 30 02 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x00000230B42628A0, 16 bytes long.
Data: <x\$´0 > 78 5C 24 B4 30 02 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x00000230B4262580, 16 bytes long.
Data: <P\$´0 > 50 5C 24 B4 30 02 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x00000230B4261F90, 16 bytes long.
Data: <(\$´0 > 28 5C 24 B4 30 02 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x00000230B425D700, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{276} normal block at 0x00000230B4262120, 16 bytes long.
Data: < \$´0 > 00 5C 24 B4 30 02 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x00000230B4245C00, 320 bytes long.
Data: < !&´0 ×%´0 > 20 21 26 B4 30 02 00 00 00 D7 25 B4 30 02 00 00
{274} normal block at 0x00000230B4262300, 16 bytes long.
Data: <@5&´0 > 40 35 26 B4 30 02 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x00000230B4262490, 16 bytes long.
Data: < 5&´0 > 18 35 26 B4 30 02 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x00000230B425C980, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{271} normal block at 0x00000230B4262760, 16 bytes long.
Data: <ð4&´0 > F0 34 26 B4 30 02 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x00000230B425CAA0, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{269} normal block at 0x00000230B4262440, 16 bytes long.
Data: <84&´0 > 38 34 26 B4 30 02 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x00000230B42626C0, 16 bytes long.
Data: < 4&´0 > 10 34 26 B4 30 02 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x00000230B42627B0, 16 bytes long.
Data: <è3&´0 > E8 33 26 B4 30 02 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x00000230B4262210, 16 bytes long.
Data: <À3&´0 > C0 33 26 B4 30 02 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x00000230B4262B70, 16 bytes long.
Data: < 3&´0 > 98 33 26 B4 30 02 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x00000230B4262A30, 16 bytes long.
Data: <p3&´0 > 70 33 26 B4 30 02 00 00 00 00 00 00 00 00 00 00
{262} normal block at 0x00000230B4262A80, 16 bytes long.
Data: < ì%´0 > 10 EC 25 B4 30 02 00 00 00 00 00 00 00 00 00 00
{261} normal block at 0x00000230B425EC10, 40 bytes long.
Data: < *&´0 ºâµ0 > 80 2A 26 B4 30 02 00 00 80 BA E2 B5 30 02 00 00
{260} normal block at 0x00000230B4262DA0, 16 bytes long.
Data: <P3&´0 > 50 33 26 B4 30 02 00 00 00 00 00 00 00 00 00 00
{259} normal block at 0x00000230B4262D50, 16 bytes long.
Data: <(3&´0 > 28 33 26 B4 30 02 00 00 00 00 00 00 00 00 00 00
{258} normal block at 0x00000230B425D1C0, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{257} normal block at 0x00000230B42623F0, 16 bytes long.
Data: < 3&´0 > 00 33 26 B4 30 02 00 00 00 00 00 00 00 00 00 00
{256} normal block at 0x00000230B4263300, 992 bytes long.
Data: <ð#&´0 ÀÑ%´0 > F0 23 26 B4 30 02 00 00 C0 D1 25 B4 30 02 00 00
{92} normal block at 0x00000230B425C800, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{91} normal block at 0x00000230B42571E0, 16 bytes long.
Data: <0ë%´0 > 30 EB 25 B4 30 02 00 00 00 00 00 00 00 00 00 00
{90} normal block at 0x00000230B425EB30, 40 bytes long.
Data: <àq%´0 È%´0 > E0 71 25 B4 30 02 00 00 00 C8 25 B4 30 02 00 00
{69} normal block at 0x00000230B4257140, 16 bytes long.
Data: < ê«¿ö > 80 EA AB BF F6 7F 00 00 00 00 00 00 00 00 00 00
{68} normal block at 0x00000230B4256E70, 16 bytes long.
Data: <@é«¿ö > 40 E9 AB BF F6 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x00000230B4256BA0, 16 bytes long.
Data: <øW¨¿ö > F8 57 A8 BF F6 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x00000230B4256600, 16 bytes long.
Data: <ØW¨¿ö > D8 57 A8 BF F6 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x00000230B4256D80, 16 bytes long.
Data: <P ¨¿ö > 50 04 A8 BF F6 7F 00 00 00 00 00 00 00 00 00 00
{64} normal block at 0x00000230B42564C0, 16 bytes long.
Data: <0 ¨¿ö > 30 04 A8 BF F6 7F 00 00 00 00 00 00 00 00 00 00
{63} normal block at 0x00000230B4256B00, 16 bytes long.
Data: <à ¨¿ö > E0 02 A8 BF F6 7F 00 00 00 00 00 00 00 00 00 00
{62} normal block at 0x00000230B4256790, 16 bytes long.
Data: < ¨¿ö > 10 04 A8 BF F6 7F 00 00 00 00 00 00 00 00 00 00
{61} normal block at 0x00000230B4257050, 16 bytes long.
Data: <p ¨¿ö > 70 04 A8 BF F6 7F 00 00 00 00 00 00 00 00 00 00
{60} normal block at 0x00000230B4257320, 16 bytes long.
Data: < À¦¿ö > 18 C0 A6 BF F6 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
©2026 Universitat Pompeu Fabra