Task 38679864
| Name | test_501-GPUGRID_TEST_ATM_40STEP_20261023-24-40-RND2082_0 |
| Workunit | 31621623 |
| Created | 26 Oct 2026, 22:02:54 UTC |
| Sent | 26 Oct 2026, 22:02:57 UTC |
| Report deadline | 31 Oct 2026, 22:02:57 UTC |
| Received | 26 Oct 2026, 22:53:00 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 653122 |
| Run time | 25 min |
| CPU time | 22 min |
| Validate state | Valid |
| Credit | 60,000.00 |
| Device peak FLOPS | 47,850.03 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 736.20 MB |
| Peak swap size | 9.99 GB |
| Peak disk usage | 3.02 GB |
Stderr output
<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
23:29:05 (36240): wrapper (7.9.26016): starting
23:29:05 (36240): 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
23:29:06 (36240): Library/usr/bin/tar.exe exited; CPU time 0.000000
23:29:06 (36240): 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\1\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\1\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: Exiting with failure status due to previous errors
23:52:31 (36240): C:/Windows/system32/cmd.exe exited; CPU time 1320.906250
23:52:31 (36240): 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: 28634099 bytes.
Dumping objects ->
{3835202} normal block at 0x000001F39BD44B40, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835191} normal block at 0x000001F39BD44980, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835180} normal block at 0x000001F39BD44520, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{3835169} normal block at 0x000001F39BD44280, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835158} normal block at 0x000001F399F947A0, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{3835127} normal block at 0x000001F39BCB4270, 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) : {3835114} normal block at 0x000001F399F8ECE0, 8 bytes long.
Data: < ó ó > 00 00 F3 99 F3 01 00 00
{3833965} normal block at 0x000001F399F8F5A0, 8 bytes long.
Data: < Úû ó > 10 DA FB 99 F3 01 00 00
..\zip\boinc_zip.cpp(122) : {314} normal block at 0x000001F399F91820, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{299} normal block at 0x000001F399F864D0, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{298} normal block at 0x000001F399F96640, 16 bytes long.
Data: <ØWù ó > D8 57 F9 99 F3 01 00 00 00 00 00 00 00 00 00 00
{297} normal block at 0x000001F399F95AB0, 16 bytes long.
Data: <°Wù ó > B0 57 F9 99 F3 01 00 00 00 00 00 00 00 00 00 00
{296} normal block at 0x000001F399F8D850, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{295} normal block at 0x000001F399F965F0, 16 bytes long.
Data: < Wù ó > 88 57 F9 99 F3 01 00 00 00 00 00 00 00 00 00 00
{294} normal block at 0x000001F399F95BA0, 16 bytes long.
Data: <`Wù ó > 60 57 F9 99 F3 01 00 00 00 00 00 00 00 00 00 00
{293} normal block at 0x000001F399F95EC0, 16 bytes long.
Data: <8Wù ó > 38 57 F9 99 F3 01 00 00 00 00 00 00 00 00 00 00
{292} normal block at 0x000001F399F96370, 16 bytes long.
Data: < Wù ó > 10 57 F9 99 F3 01 00 00 00 00 00 00 00 00 00 00
{291} normal block at 0x000001F399F94B20, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{290} normal block at 0x000001F399F960F0, 16 bytes long.
Data: < ù÷ ó > 08 F9 F7 99 F3 01 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x000001F399F8D310, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{288} normal block at 0x000001F399F95970, 16 bytes long.
Data: <àø÷ ó > E0 F8 F7 99 F3 01 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x000001F399F95CE0, 16 bytes long.
Data: <¸ø÷ ó > B8 F8 F7 99 F3 01 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x000001F399F967D0, 16 bytes long.
Data: < ø÷ ó > 90 F8 F7 99 F3 01 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x000001F399F960A0, 16 bytes long.
Data: <hø÷ ó > 68 F8 F7 99 F3 01 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x000001F399F96050, 16 bytes long.
Data: <@ø÷ ó > 40 F8 F7 99 F3 01 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x000001F399F96820, 16 bytes long.
Data: < ø÷ ó > 18 F8 F7 99 F3 01 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x000001F399F8D550, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{280} normal block at 0x000001F399F95BF0, 16 bytes long.
Data: <ð÷÷ ó > F0 F7 F7 99 F3 01 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x000001F399F7F7F0, 320 bytes long.
Data: <ð[ù ó PÕø ó > F0 5B F9 99 F3 01 00 00 50 D5 F8 99 F3 01 00 00
{278} normal block at 0x000001F399F95E70, 16 bytes long.
Data: <ðVù ó > F0 56 F9 99 F3 01 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x000001F399F96780, 16 bytes long.
Data: <ÈVù ó > C8 56 F9 99 F3 01 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x000001F399F8DEB0, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{275} normal block at 0x000001F399F96730, 16 bytes long.
Data: < Vù ó > A0 56 F9 99 F3 01 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x000001F399F8DD30, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{273} normal block at 0x000001F399F95D30, 16 bytes long.
Data: <èUù ó > E8 55 F9 99 F3 01 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x000001F399F95F60, 16 bytes long.
Data: <ÀUù ó > C0 55 F9 99 F3 01 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x000001F399F95C90, 16 bytes long.
Data: < Uù ó > 98 55 F9 99 F3 01 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x000001F399F95C40, 16 bytes long.
Data: <pUù ó > 70 55 F9 99 F3 01 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x000001F399F95F10, 16 bytes long.
Data: <HUù ó > 48 55 F9 99 F3 01 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x000001F399F8EB50, 16 bytes long.
Data: < Uù ó > 20 55 F9 99 F3 01 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x000001F399F8F730, 16 bytes long.
Data: <PMù ó > 50 4D F9 99 F3 01 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x000001F399F94D50, 40 bytes long.
Data: <0÷ø ó pBË›ó > 30 F7 F8 99 F3 01 00 00 70 42 CB 9B F3 01 00 00
{264} normal block at 0x000001F399F8F5F0, 16 bytes long.
Data: < Uù ó > 00 55 F9 99 F3 01 00 00 00 00 00 00 00 00 00 00
{263} normal block at 0x000001F399F8F000, 16 bytes long.
Data: <ØTù ó > D8 54 F9 99 F3 01 00 00 00 00 00 00 00 00 00 00
{262} normal block at 0x000001F399F8DC70, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{261} normal block at 0x000001F399F8F550, 16 bytes long.
Data: <°Tù ó > B0 54 F9 99 F3 01 00 00 00 00 00 00 00 00 00 00
{260} normal block at 0x000001F399F954B0, 992 bytes long.
Data: <Põø ó pÜø ó > 50 F5 F8 99 F3 01 00 00 70 DC F8 99 F3 01 00 00
{96} normal block at 0x000001F399F8D790, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{95} normal block at 0x000001F399F8F690, 16 bytes long.
Data: <àLù ó > E0 4C F9 99 F3 01 00 00 00 00 00 00 00 00 00 00
{94} normal block at 0x000001F399F94CE0, 40 bytes long.
Data: < öø ó ×ø ó > 90 F6 F8 99 F3 01 00 00 90 D7 F8 99 F3 01 00 00
{73} normal block at 0x000001F399F8EBF0, 16 bytes long.
Data: < ê ÷ > 80 EA 98 15 F7 7F 00 00 00 00 00 00 00 00 00 00
{72} normal block at 0x000001F399F8F0A0, 16 bytes long.
Data: <@é ÷ > 40 E9 98 15 F7 7F 00 00 00 00 00 00 00 00 00 00
{71} normal block at 0x000001F399F8EC40, 16 bytes long.
Data: <øW• ÷ > F8 57 95 15 F7 7F 00 00 00 00 00 00 00 00 00 00
{70} normal block at 0x000001F399F8F3C0, 16 bytes long.
Data: <ØW• ÷ > D8 57 95 15 F7 7F 00 00 00 00 00 00 00 00 00 00
{69} normal block at 0x000001F399F8EF60, 16 bytes long.
Data: <P • ÷ > 50 04 95 15 F7 7F 00 00 00 00 00 00 00 00 00 00
{68} normal block at 0x000001F399F8FA00, 16 bytes long.
Data: <0 • ÷ > 30 04 95 15 F7 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x000001F399F8F370, 16 bytes long.
Data: <à • ÷ > E0 02 95 15 F7 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x000001F399F8F7D0, 16 bytes long.
Data: < • ÷ > 10 04 95 15 F7 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x000001F399F8F960, 16 bytes long.
Data: <p • ÷ > 70 04 95 15 F7 7F 00 00 00 00 00 00 00 00 00 00
{64} normal block at 0x000001F399F8F640, 16 bytes long.
Data: < À“ ÷ > 18 C0 93 15 F7 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
©2026 Universitat Pompeu Fabra