Task 38684774
| Name | test_926-GPUGRID_TEST_ATM_40STEP_20261023-32-40-RND8590_0 |
| Workunit | 31626278 |
| Created | 27 Oct 2026, 17:55:07 UTC |
| Sent | 27 Oct 2026, 17:55:10 UTC |
| Report deadline | 1 Nov 2026, 17:55:10 UTC |
| Received | 27 Oct 2026, 18:37:00 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 640732 |
| Run time | 21 min 55 sec |
| CPU time | 19 min 34 sec |
| Validate state | Valid |
| Credit | 60,000.00 |
| Device peak FLOPS | 109,325.87 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 747.54 MB |
| Peak swap size | 13.25 GB |
| Peak disk usage | 3.03 GB |
Stderr output
<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
18:09:59 (26600): wrapper (7.9.26016): starting
18:09:59 (26600): 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
18:10:01 (26600): Library/usr/bin/tar.exe exited; CPU time 0.015625
18:10:01 (26600): 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\61\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\61\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
18:35:10 (26600): C:/Windows/system32/cmd.exe exited; CPU time 1174.500000
18:35:10 (26600): 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: 27508121 bytes.
Dumping objects ->
{3835192} normal block at 0x000001C9FB05CC00, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835181} normal block at 0x000001C9FB05D060, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835170} normal block at 0x000001C9FB05C960, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{3835159} normal block at 0x000001C9F93D47F0, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835148} normal block at 0x000001C9F93D4780, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{3835117} normal block at 0x000001C9FB0A5850, 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) : {3835104} normal block at 0x000001C9F93D05D0, 8 bytes long.
Data: < 9ùÉ > 00 00 39 F9 C9 01 00 00
{3833961} normal block at 0x000001C9F93CFA40, 8 bytes long.
Data: <0D ûÉ > 30 44 10 FB C9 01 00 00
..\zip\boinc_zip.cpp(122) : {312} normal block at 0x000001C9F93C65D0, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{297} normal block at 0x000001C9F93C71C0, 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 0x000001C9F93D5BC0, 16 bytes long.
Data: < e=ùÉ > 98 65 3D F9 C9 01 00 00 00 00 00 00 00 00 00 00
{295} normal block at 0x000001C9F93D5EE0, 16 bytes long.
Data: <pe=ùÉ > 70 65 3D F9 C9 01 00 00 00 00 00 00 00 00 00 00
{294} normal block at 0x000001C9F93D1020, 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 0x000001C9F93D5850, 16 bytes long.
Data: <He=ùÉ > 48 65 3D F9 C9 01 00 00 00 00 00 00 00 00 00 00
{292} normal block at 0x000001C9F93D5AD0, 16 bytes long.
Data: < e=ùÉ > 20 65 3D F9 C9 01 00 00 00 00 00 00 00 00 00 00
{291} normal block at 0x000001C9F93D5580, 16 bytes long.
Data: <ød=ùÉ > F8 64 3D F9 C9 01 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x000001C9F93D5A30, 16 bytes long.
Data: <Ðd=ùÉ > D0 64 3D F9 C9 01 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x000001C9F93D4860, 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 0x000001C9F93D5530, 16 bytes long.
Data: < ù;ùÉ > 88 F9 3B F9 C9 01 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x000001C9F93D11A0, 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 0x000001C9F93D5490, 16 bytes long.
Data: <`ù;ùÉ > 60 F9 3B F9 C9 01 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x000001C9F93D53A0, 16 bytes long.
Data: <8ù;ùÉ > 38 F9 3B F9 C9 01 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x000001C9F93D5D00, 16 bytes long.
Data: < ù;ùÉ > 10 F9 3B F9 C9 01 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x000001C9F93D52B0, 16 bytes long.
Data: <èø;ùÉ > E8 F8 3B F9 C9 01 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x000001C9F93D54E0, 16 bytes long.
Data: <Àø;ùÉ > C0 F8 3B F9 C9 01 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x000001C9F93D6110, 16 bytes long.
Data: < ø;ùÉ > 98 F8 3B F9 C9 01 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x000001C9F93D10E0, 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 0x000001C9F93D5CB0, 16 bytes long.
Data: <pø;ùÉ > 70 F8 3B F9 C9 01 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x000001C9F93BF870, 320 bytes long.
Data: <°\=ùÉ à =ùÉ > B0 5C 3D F9 C9 01 00 00 E0 10 3D F9 C9 01 00 00
{276} normal block at 0x000001C9F93D59E0, 16 bytes long.
Data: <°d=ùÉ > B0 64 3D F9 C9 01 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x000001C9F93D60C0, 16 bytes long.
Data: < d=ùÉ > 88 64 3D F9 C9 01 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x000001C9F93D0FC0, 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 0x000001C9F93D56C0, 16 bytes long.
Data: <`d=ùÉ > 60 64 3D F9 C9 01 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x000001C9F93D0AE0, 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 0x000001C9F93D5440, 16 bytes long.
Data: <¨c=ùÉ > A8 63 3D F9 C9 01 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x000001C9F93D53F0, 16 bytes long.
Data: < c=ùÉ > 80 63 3D F9 C9 01 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x000001C9F93D6070, 16 bytes long.
Data: <Xc=ùÉ > 58 63 3D F9 C9 01 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x000001C9F93D6160, 16 bytes long.
Data: <0c=ùÉ > 30 63 3D F9 C9 01 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x000001C9F93D58A0, 16 bytes long.
Data: < c=ùÉ > 08 63 3D F9 C9 01 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x000001C9F93D5E90, 16 bytes long.
Data: <àb=ùÉ > E0 62 3D F9 C9 01 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x000001C9F93D6020, 16 bytes long.
Data: <@I=ùÉ > 40 49 3D F9 C9 01 00 00 00 00 00 00 00 00 00 00
{263} normal block at 0x000001C9F93D4940, 40 bytes long.
Data: < `=ùÉ PX ûÉ > 20 60 3D F9 C9 01 00 00 50 58 0A FB C9 01 00 00
{262} normal block at 0x000001C9F93D5FD0, 16 bytes long.
Data: <Àb=ùÉ > C0 62 3D F9 C9 01 00 00 00 00 00 00 00 00 00 00
{261} normal block at 0x000001C9F93D5F80, 16 bytes long.
Data: < b=ùÉ > 98 62 3D F9 C9 01 00 00 00 00 00 00 00 00 00 00
{260} normal block at 0x000001C9F93D0DE0, 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 0x000001C9F93D5990, 16 bytes long.
Data: <pb=ùÉ > 70 62 3D F9 C9 01 00 00 00 00 00 00 00 00 00 00
{258} normal block at 0x000001C9F93D6270, 992 bytes long.
Data: < Y=ùÉ à =ùÉ > 90 59 3D F9 C9 01 00 00 E0 0D 3D F9 C9 01 00 00
{94} normal block at 0x000001C9F93D07E0, 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 0x000001C9F93D0580, 16 bytes long.
Data: <0M=ùÉ > 30 4D 3D F9 C9 01 00 00 00 00 00 00 00 00 00 00
{92} normal block at 0x000001C9F93D4D30, 40 bytes long.
Data: < =ùÉ à =ùÉ > 80 05 3D F9 C9 01 00 00 E0 07 3D F9 C9 01 00 00
{71} normal block at 0x000001C9F93CF9F0, 16 bytes long.
Data: < ê>åö > 80 EA 3E E5 F6 7F 00 00 00 00 00 00 00 00 00 00
{70} normal block at 0x000001C9F93D0530, 16 bytes long.
Data: <@é>åö > 40 E9 3E E5 F6 7F 00 00 00 00 00 00 00 00 00 00
{69} normal block at 0x000001C9F93D0210, 16 bytes long.
Data: <øW;åö > F8 57 3B E5 F6 7F 00 00 00 00 00 00 00 00 00 00
{68} normal block at 0x000001C9F93D01C0, 16 bytes long.
Data: <ØW;åö > D8 57 3B E5 F6 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x000001C9F93CFEA0, 16 bytes long.
Data: <P ;åö > 50 04 3B E5 F6 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x000001C9F93D04E0, 16 bytes long.
Data: <0 ;åö > 30 04 3B E5 F6 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x000001C9F93D0030, 16 bytes long.
Data: <à ;åö > E0 02 3B E5 F6 7F 00 00 00 00 00 00 00 00 00 00
{64} normal block at 0x000001C9F93CFBD0, 16 bytes long.
Data: < ;åö > 10 04 3B E5 F6 7F 00 00 00 00 00 00 00 00 00 00
{63} normal block at 0x000001C9F93CFA90, 16 bytes long.
Data: <p ;åö > 70 04 3B E5 F6 7F 00 00 00 00 00 00 00 00 00 00
{62} normal block at 0x000001C9F93CF900, 16 bytes long.
Data: < À9åö > 18 C0 39 E5 F6 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
©2026 Universitat Pompeu Fabra