Task 38687466
| Name | test_846-GPUGRID_TEST_ATM_40STEP_20261023-36-40-RND2577_0 |
| Workunit | 31628856 |
| Created | 28 Oct 2026, 7:57:25 UTC |
| Sent | 28 Oct 2026, 7:57:32 UTC |
| Report deadline | 2 Nov 2026, 7:57:32 UTC |
| Received | 28 Oct 2026, 8:56:23 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 616686 |
| Run time | 49 min 55 sec |
| CPU time | 40 min 50 sec |
| Validate state | Valid |
| Credit | 60,000.00 |
| Device peak FLOPS | 9,849.38 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 735.04 MB |
| Peak swap size | 9.92 GB |
| Peak disk usage | 3.97 GB |
Stderr output
<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
04:01:00 (47060): wrapper (7.9.26016): starting
04:01:00 (47060): 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
04:01:02 (47060): Library/usr/bin/tar.exe exited; CPU time 0.000000
04:01:02 (47060): 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 'D:\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 'D:\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
04:49:09 (47060): C:/Windows/system32/cmd.exe exited; CPU time 2450.625000
04:49:09 (47060): 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: 74043397 bytes.
Dumping objects ->
{3835431} normal block at 0x000002A04E5C2750, 48 bytes long.
Data: <PATH=D:\ProgramD> 50 41 54 48 3D 44 3A 5C 50 72 6F 67 72 61 6D 44
{3835420} normal block at 0x000002A04E5C2910, 48 bytes long.
Data: <HOME=D:\ProgramD> 48 4F 4D 45 3D 44 3A 5C 50 72 6F 67 72 61 6D 44
{3835409} normal block at 0x000002A04E5C2590, 48 bytes long.
Data: <TMP=D:\ProgramDa> 54 4D 50 3D 44 3A 5C 50 72 6F 67 72 61 6D 44 61
{3835398} normal block at 0x000002A04C9C1580, 48 bytes long.
Data: <TEMP=D:\ProgramD> 54 45 4D 50 3D 44 3A 5C 50 72 6F 67 72 61 6D 44
{3835387} normal block at 0x000002A04C9C1890, 48 bytes long.
Data: <TMPDIR=D:\Progra> 54 4D 50 44 49 52 3D 44 3A 5C 50 72 6F 67 72 61
{3835356} normal block at 0x000002A04E63C180, 64 bytes long.
Data: <PATH=D:\ProgramD> 50 41 54 48 3D 44 3A 5C 50 72 6F 67 72 61 6D 44
..\api\boinc_api.cpp(309) : {3835343} normal block at 0x000002A04C9BB070, 8 bytes long.
Data: < –L  > 00 00 96 4C A0 02 00 00
{3833957} normal block at 0x000002A04C9BB340, 8 bytes long.
Data: < huN  > 10 68 75 4E A0 02 00 00
..\zip\boinc_zip.cpp(122) : {310} normal block at 0x000002A04C9AF3C0, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{295} normal block at 0x000002A04C9AAD20, 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 0x000002A04C9C3B80, 16 bytes long.
Data: <hCœL  > 68 43 9C 4C A0 02 00 00 00 00 00 00 00 00 00 00
{293} normal block at 0x000002A04C9C2FA0, 16 bytes long.
Data: <@CœL  > 40 43 9C 4C A0 02 00 00 00 00 00 00 00 00 00 00
{292} normal block at 0x000002A04C9BDC40, 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 0x000002A04C9C3720, 16 bytes long.
Data: < CœL  > 18 43 9C 4C A0 02 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x000002A04C9C34A0, 16 bytes long.
Data: <ðBœL  > F0 42 9C 4C A0 02 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x000002A04C9C2F50, 16 bytes long.
Data: <ÈBœL  > C8 42 9C 4C A0 02 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x000002A04C9C3950, 16 bytes long.
Data: < BœL  > A0 42 9C 4C A0 02 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x000002A04C9C1660, 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 0x000002A04C9C38B0, 16 bytes long.
Data: < ÜšL  > 18 DC 9A 4C A0 02 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x000002A04C9BD1C0, 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 0x000002A04C9C3310, 16 bytes long.
Data: <ðÛšL  > F0 DB 9A 4C A0 02 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x000002A04C9C3860, 16 bytes long.
Data: <ÈÛšL  > C8 DB 9A 4C A0 02 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x000002A04C9C31D0, 16 bytes long.
Data: < ÛšL  > A0 DB 9A 4C A0 02 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x000002A04C9C2EB0, 16 bytes long.
Data: <xÛšL  > 78 DB 9A 4C A0 02 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x000002A04C9C3540, 16 bytes long.
Data: <PÛšL  > 50 DB 9A 4C A0 02 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x000002A04C9C2F00, 16 bytes long.
Data: <(ÛšL  > 28 DB 9A 4C A0 02 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x000002A04C9BDA00, 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 0x000002A04C9C37C0, 16 bytes long.
Data: < ÛšL  > 00 DB 9A 4C A0 02 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x000002A04C9ADB00, 320 bytes long.
Data: <À7œL  Ú›L  > C0 37 9C 4C A0 02 00 00 00 DA 9B 4C A0 02 00 00
{274} normal block at 0x000002A04C9C3770, 16 bytes long.
Data: < BœL  > 80 42 9C 4C A0 02 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x000002A04C9C36D0, 16 bytes long.
Data: <XBœL  > 58 42 9C 4C A0 02 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x000002A04C9BD3A0, 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 0x000002A04C9C3810, 16 bytes long.
Data: <0BœL  > 30 42 9C 4C A0 02 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x000002A04C9BD880, 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 0x000002A04C9C2E60, 16 bytes long.
Data: <xAœL  > 78 41 9C 4C A0 02 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x000002A04C9C3090, 16 bytes long.
Data: <PAœL  > 50 41 9C 4C A0 02 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x000002A04C9C2D20, 16 bytes long.
Data: <(AœL  > 28 41 9C 4C A0 02 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x000002A04C9C3BD0, 16 bytes long.
Data: < AœL  > 00 41 9C 4C A0 02 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x000002A04C9C3630, 16 bytes long.
Data: <Ø@œL  > D8 40 9C 4C A0 02 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x000002A04C9C3A40, 16 bytes long.
Data: <°@œL  > B0 40 9C 4C A0 02 00 00 00 00 00 00 00 00 00 00
{262} normal block at 0x000002A04C9C2D70, 16 bytes long.
Data: <ð œL  > F0 15 9C 4C A0 02 00 00 00 00 00 00 00 00 00 00
{261} normal block at 0x000002A04C9C15F0, 40 bytes long.
Data: <p-œL  ÁcN  > 70 2D 9C 4C A0 02 00 00 80 C1 63 4E A0 02 00 00
{260} normal block at 0x000002A04C9C32C0, 16 bytes long.
Data: < @œL  > 90 40 9C 4C A0 02 00 00 00 00 00 00 00 00 00 00
{259} normal block at 0x000002A04C9C34F0, 16 bytes long.
Data: <h@œL  > 68 40 9C 4C A0 02 00 00 00 00 00 00 00 00 00 00
{258} normal block at 0x000002A04C9BDB20, 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 0x000002A04C9C2E10, 16 bytes long.
Data: <@@œL  > 40 40 9C 4C A0 02 00 00 00 00 00 00 00 00 00 00
{256} normal block at 0x000002A04C9C4040, 992 bytes long.
Data: < .œL  Û›L  > 10 2E 9C 4C A0 02 00 00 20 DB 9B 4C A0 02 00 00
{92} normal block at 0x000002A04C9BDA60, 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 0x000002A04C9BAFD0, 16 bytes long.
Data: < œL  > 00 19 9C 4C A0 02 00 00 00 00 00 00 00 00 00 00
{90} normal block at 0x000002A04C9C1900, 40 bytes long.
Data: <Я›L  `Ú›L  > D0 AF 9B 4C A0 02 00 00 60 DA 9B 4C A0 02 00 00
{69} normal block at 0x000002A04C9BB480, 16 bytes long.
Data: < êYF÷ > 80 EA 59 46 F7 7F 00 00 00 00 00 00 00 00 00 00
{68} normal block at 0x000002A04C9BB430, 16 bytes long.
Data: <@éYF÷ > 40 E9 59 46 F7 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x000002A04C9BB020, 16 bytes long.
Data: <øWVF÷ > F8 57 56 46 F7 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x000002A04C9BB7F0, 16 bytes long.
Data: <ØWVF÷ > D8 57 56 46 F7 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x000002A04C9BBAC0, 16 bytes long.
Data: <P VF÷ > 50 04 56 46 F7 7F 00 00 00 00 00 00 00 00 00 00
{64} normal block at 0x000002A04C9BAEE0, 16 bytes long.
Data: <0 VF÷ > 30 04 56 46 F7 7F 00 00 00 00 00 00 00 00 00 00
{63} normal block at 0x000002A04C9BBA70, 16 bytes long.
Data: <à VF÷ > E0 02 56 46 F7 7F 00 00 00 00 00 00 00 00 00 00
{62} normal block at 0x000002A04C9BB200, 16 bytes long.
Data: < VF÷ > 10 04 56 46 F7 7F 00 00 00 00 00 00 00 00 00 00
{61} normal block at 0x000002A04C9BB1B0, 16 bytes long.
Data: <p VF÷ > 70 04 56 46 F7 7F 00 00 00 00 00 00 00 00 00 00
{60} normal block at 0x000002A04C9BBA20, 16 bytes long.
Data: < ÀTF÷ > 18 C0 54 46 F7 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
©2026 Universitat Pompeu Fabra