Task 38681411
| Name | test_559-GPUGRID_TEST_ATM_40STEP_20261023-25-40-RND4092_0 |
| Workunit | 31623077 |
| Created | 27 Oct 2026, 3:51:03 UTC |
| Sent | 27 Oct 2026, 3:51:12 UTC |
| Report deadline | 1 Nov 2026, 3:51:12 UTC |
| Received | 27 Oct 2026, 4:23:53 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 644675 |
| Run time | 21 min 17 sec |
| CPU time | 18 min 30 sec |
| Validate state | Valid |
| Credit | 60,000.00 |
| Device peak FLOPS | 56,774.19 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 753.76 MB |
| Peak swap size | 10.04 GB |
| Peak disk usage | 3.03 GB |
Stderr output
<core_client_version>8.2.13</core_client_version>
<![CDATA[
<stderr_txt>
00:03:18 (26544): wrapper (7.9.26016): starting
00:03:18 (26544): 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
00:03:19 (26544): Library/usr/bin/tar.exe exited; CPU time 0.015625
00:03:19 (26544): 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\24\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\24\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
00:23:30 (26544): C:/Windows/system32/cmd.exe exited; CPU time 1110.406250
00:23:30 (26544): 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: 33153627 bytes.
Dumping objects ->
{3835602} normal block at 0x00000238BB8EFBA0, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835591} normal block at 0x00000238BB8EF580, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835580} normal block at 0x00000238BB8EF740, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{3835569} normal block at 0x00000238B9AF6AE0, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835558} normal block at 0x00000238B9AF6840, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{3835527} normal block at 0x00000238BB93AA50, 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) : {3835514} normal block at 0x00000238B9AEC870, 8 bytes long.
Data: < ÿ¹8 > 00 00 FF B9 38 02 00 00
{3833973} normal block at 0x00000238B9AEC0F0, 8 bytes long.
Data: <Àé­¹8 > C0 E9 AD B9 38 02 00 00
..\zip\boinc_zip.cpp(122) : {318} normal block at 0x00000238B9AF23C0, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{303} normal block at 0x00000238B9AE82E0, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{302} normal block at 0x00000238B9AF84C0, 16 bytes long.
Data: <8Š¯¹8 > 38 8A AF B9 38 02 00 00 00 00 00 00 00 00 00 00
{301} normal block at 0x00000238B9AF80B0, 16 bytes long.
Data: < Š¯¹8 > 10 8A AF B9 38 02 00 00 00 00 00 00 00 00 00 00
{300} normal block at 0x00000238B9AF0BB0, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{299} normal block at 0x00000238B9AF8470, 16 bytes long.
Data: <良¹8 > E8 89 AF B9 38 02 00 00 00 00 00 00 00 00 00 00
{298} normal block at 0x00000238B9AF8150, 16 bytes long.
Data: <À‰¯¹8 > C0 89 AF B9 38 02 00 00 00 00 00 00 00 00 00 00
{297} normal block at 0x00000238B9AF7AC0, 16 bytes long.
Data: < ‰¯¹8 > 98 89 AF B9 38 02 00 00 00 00 00 00 00 00 00 00
{296} normal block at 0x00000238B9AF8420, 16 bytes long.
Data: <p‰¯¹8 > 70 89 AF B9 38 02 00 00 00 00 00 00 00 00 00 00
{295} normal block at 0x00000238B9AF6CA0, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{294} normal block at 0x00000238B9AF7E80, 16 bytes long.
Data: < ®¹8 > 18 05 AE B9 38 02 00 00 00 00 00 00 00 00 00 00
{293} normal block at 0x00000238B9AF06D0, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{292} normal block at 0x00000238B9AF8380, 16 bytes long.
Data: <ð ®¹8 > F0 04 AE B9 38 02 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x00000238B9AF8330, 16 bytes long.
Data: <È ®¹8 > C8 04 AE B9 38 02 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x00000238B9AF7E30, 16 bytes long.
Data: <  ®¹8 > A0 04 AE B9 38 02 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x00000238B9AF7DE0, 16 bytes long.
Data: <x ®¹8 > 78 04 AE B9 38 02 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x00000238B9AF8060, 16 bytes long.
Data: <P ®¹8 > 50 04 AE B9 38 02 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x00000238B9AF7C00, 16 bytes long.
Data: <( ®¹8 > 28 04 AE B9 38 02 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x00000238B9AF0430, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{284} normal block at 0x00000238B9AF83D0, 16 bytes long.
Data: < ®¹8 > 00 04 AE B9 38 02 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x00000238B9AE0400, 320 bytes long.
Data: <Ѓ¯¹8 0 ¯¹8 > D0 83 AF B9 38 02 00 00 30 04 AF B9 38 02 00 00
{282} normal block at 0x00000238B9AF7B10, 16 bytes long.
Data: <P‰¯¹8 > 50 89 AF B9 38 02 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x00000238B9AF8010, 16 bytes long.
Data: <(‰¯¹8 > 28 89 AF B9 38 02 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x00000238B9AF0370, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{279} normal block at 0x00000238B9AF82E0, 16 bytes long.
Data: < ‰¯¹8 > 00 89 AF B9 38 02 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x00000238B9AF0CD0, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{277} normal block at 0x00000238B9AF7ED0, 16 bytes long.
Data: <H ¯¹8 > 48 88 AF B9 38 02 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x00000238B9AF7F70, 16 bytes long.
Data: < ¯¹8 > 20 88 AF B9 38 02 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x00000238B9AF7CA0, 16 bytes long.
Data: <ø‡¯¹8 > F8 87 AF B9 38 02 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x00000238B9AF8290, 16 bytes long.
Data: <Ї¯¹8 > D0 87 AF B9 38 02 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x00000238B9AF8600, 16 bytes long.
Data: <¨‡¯¹8 > A8 87 AF B9 38 02 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x00000238B9AF8100, 16 bytes long.
Data: < ‡¯¹8 > 80 87 AF B9 38 02 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x00000238B9AF8240, 16 bytes long.
Data: < i¯¹8 > 90 69 AF B9 38 02 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x00000238B9AF6990, 40 bytes long.
Data: <@‚¯¹8 Pª“»8 > 40 82 AF B9 38 02 00 00 50 AA 93 BB 38 02 00 00
{268} normal block at 0x00000238B9AF7890, 16 bytes long.
Data: <`‡¯¹8 > 60 87 AF B9 38 02 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x00000238B9AF7FC0, 16 bytes long.
Data: <8‡¯¹8 > 38 87 AF B9 38 02 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x00000238B9AF0D90, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{265} normal block at 0x00000238B9AF7D90, 16 bytes long.
Data: < ‡¯¹8 > 10 87 AF B9 38 02 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x00000238B9AF8710, 992 bytes long.
Data: < }¯¹8 ¯¹8 > 90 7D AF B9 38 02 00 00 90 0D AF B9 38 02 00 00
{100} normal block at 0x00000238B9AF0790, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{99} normal block at 0x00000238B9AEBF60, 16 bytes long.
Data: <0l¯¹8 > 30 6C AF B9 38 02 00 00 00 00 00 00 00 00 00 00
{98} normal block at 0x00000238B9AF6C30, 40 bytes long.
Data: <`¿®¹8 ¯¹8 > 60 BF AE B9 38 02 00 00 90 07 AF B9 38 02 00 00
{77} normal block at 0x00000238B9AEBF10, 16 bytes long.
Data: < ê"U÷ > 80 EA 22 55 F7 7F 00 00 00 00 00 00 00 00 00 00
{76} normal block at 0x00000238B9AEBE20, 16 bytes long.
Data: <@é"U÷ > 40 E9 22 55 F7 7F 00 00 00 00 00 00 00 00 00 00
{75} normal block at 0x00000238B9AEC370, 16 bytes long.
Data: <øW U÷ > F8 57 1F 55 F7 7F 00 00 00 00 00 00 00 00 00 00
{74} normal block at 0x00000238B9AEBE70, 16 bytes long.
Data: <ØW U÷ > D8 57 1F 55 F7 7F 00 00 00 00 00 00 00 00 00 00
{73} normal block at 0x00000238B9AEC410, 16 bytes long.
Data: <P U÷ > 50 04 1F 55 F7 7F 00 00 00 00 00 00 00 00 00 00
{72} normal block at 0x00000238B9AEBDD0, 16 bytes long.
Data: <0 U÷ > 30 04 1F 55 F7 7F 00 00 00 00 00 00 00 00 00 00
{71} normal block at 0x00000238B9AEC690, 16 bytes long.
Data: <à U÷ > E0 02 1F 55 F7 7F 00 00 00 00 00 00 00 00 00 00
{70} normal block at 0x00000238B9AEC730, 16 bytes long.
Data: < U÷ > 10 04 1F 55 F7 7F 00 00 00 00 00 00 00 00 00 00
{69} normal block at 0x00000238B9AEBD80, 16 bytes long.
Data: <p U÷ > 70 04 1F 55 F7 7F 00 00 00 00 00 00 00 00 00 00
{68} normal block at 0x00000238B9AECA00, 16 bytes long.
Data: < À U÷ > 18 C0 1D 55 F7 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
©2026 Universitat Pompeu Fabra