Task 38659090
| Name | test_1208-GPUGRID_TEST_ATM_2STEP_20261024-0-2-RND2149_0 |
| Workunit | 31602645 |
| Created | 24 Oct 2026, 13:15:35 UTC |
| Sent | 24 Oct 2026, 14:37:50 UTC |
| Report deadline | 29 Oct 2026, 14:37:50 UTC |
| Received | 24 Oct 2026, 15:49:50 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 494803 |
| Run time | 35 min 26 sec |
| CPU time | 28 min 17 sec |
| Validate state | Valid |
| Credit | 60,000.00 |
| Device peak FLOPS | 12,067.36 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 669.57 MB |
| Peak swap size | 3.80 GB |
| Peak disk usage | 2.97 GB |
Stderr output
<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
17:15:08 (2012): wrapper (7.9.26016): starting
17:15:08 (2012): 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
17:15:09 (2012): Library/usr/bin/tar.exe exited; CPU time 0.000000
17:15:09 (2012): 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 'E:\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 'E:\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: r*/*.xtc: Cannot stat: No such file or directory
tar: Exiting with failure status due to previous errors
17:49:32 (2012): C:/Windows/system32/cmd.exe exited; CPU time 1697.156250
17:49:32 (2012): called boinc_finish(0)
0 bytes in 0 Free Blocks.
176 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: 33926979 bytes.
Dumping objects ->
{3835522} normal block at 0x0000028F70886D10, 48 bytes long.
Data: <PATH=E:\BOINC\sl> 50 41 54 48 3D 45 3A 5C 42 4F 49 4E 43 5C 73 6C
{3835511} normal block at 0x0000028F72355FB0, 32 bytes long.
Data: <HOME=E:\BOINC\sl> 48 4F 4D 45 3D 45 3A 5C 42 4F 49 4E 43 5C 73 6C
{3835500} normal block at 0x0000028F723560D0, 32 bytes long.
Data: <TMP=E:\BOINC\slo> 54 4D 50 3D 45 3A 5C 42 4F 49 4E 43 5C 73 6C 6F
{3835489} normal block at 0x0000028F72355E90, 32 bytes long.
Data: <TEMP=E:\BOINC\sl> 54 45 4D 50 3D 45 3A 5C 42 4F 49 4E 43 5C 73 6C
{3835478} normal block at 0x0000028F72356370, 32 bytes long.
Data: <TMPDIR=E:\BOINC\> 54 4D 50 44 49 52 3D 45 3A 5C 42 4F 49 4E 43 5C
{3835447} normal block at 0x0000028F70886BC0, 48 bytes long.
Data: <PATH=E:\BOINC\sl> 50 41 54 48 3D 45 3A 5C 42 4F 49 4E 43 5C 73 6C
..\api\boinc_api.cpp(309) : {3835434} normal block at 0x0000028F708573F0, 8 bytes long.
Data: < ƒp > 00 00 83 70 8F 02 00 00
{3833955} normal block at 0x0000028F708573A0, 8 bytes long.
Data: <Ðè!r > D0 E8 21 72 8F 02 00 00
..\zip\boinc_zip.cpp(122) : {309} normal block at 0x0000028F70861930, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{294} normal block at 0x0000028F7085CFF0, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{293} normal block at 0x0000028F708634B0, 16 bytes long.
Data: <(>†p > 28 3E 86 70 8F 02 00 00 00 00 00 00 00 00 00 00
{292} normal block at 0x0000028F70863410, 16 bytes long.
Data: < >†p > 00 3E 86 70 8F 02 00 00 00 00 00 00 00 00 00 00
{291} normal block at 0x0000028F7085C590, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{290} normal block at 0x0000028F708630F0, 16 bytes long.
Data: <Ø=†p > D8 3D 86 70 8F 02 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x0000028F70862CE0, 16 bytes long.
Data: <°=†p > B0 3D 86 70 8F 02 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x0000028F70862BF0, 16 bytes long.
Data: < =†p > 88 3D 86 70 8F 02 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x0000028F708633C0, 16 bytes long.
Data: <`=†p > 60 3D 86 70 8F 02 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x0000028F7085D4C0, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{285} normal block at 0x0000028F70863320, 16 bytes long.
Data: <Ø^„p > D8 5E 84 70 8F 02 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x0000028F7085BF30, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{283} normal block at 0x0000028F70863460, 16 bytes long.
Data: <°^„p > B0 5E 84 70 8F 02 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x0000028F708631E0, 16 bytes long.
Data: < ^„p > 88 5E 84 70 8F 02 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x0000028F70863190, 16 bytes long.
Data: <`^„p > 60 5E 84 70 8F 02 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x0000028F708630A0, 16 bytes long.
Data: <8^„p > 38 5E 84 70 8F 02 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x0000028F70862E70, 16 bytes long.
Data: < ^„p > 10 5E 84 70 8F 02 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x0000028F70863280, 16 bytes long.
Data: <è]„p > E8 5D 84 70 8F 02 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x0000028F7085BED0, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{275} normal block at 0x0000028F70862D80, 16 bytes long.
Data: <À]„p > C0 5D 84 70 8F 02 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x0000028F70845DC0, 320 bytes long.
Data: < -†p о…p > 80 2D 86 70 8F 02 00 00 D0 BE 85 70 8F 02 00 00
{273} normal block at 0x0000028F70862B50, 16 bytes long.
Data: <@=†p > 40 3D 86 70 8F 02 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x0000028F70862A60, 16 bytes long.
Data: < =†p > 18 3D 86 70 8F 02 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x0000028F7085B930, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{270} normal block at 0x0000028F70862E20, 16 bytes long.
Data: <ð<†p > F0 3C 86 70 8F 02 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x0000028F7085C650, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{268} normal block at 0x0000028F70862A10, 16 bytes long.
Data: <8<†p > 38 3C 86 70 8F 02 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x0000028F708627E0, 16 bytes long.
Data: < <†p > 10 3C 86 70 8F 02 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x0000028F70862C90, 16 bytes long.
Data: <è;†p > E8 3B 86 70 8F 02 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x0000028F70862B00, 16 bytes long.
Data: <À;†p > C0 3B 86 70 8F 02 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x0000028F70862880, 16 bytes long.
Data: < ;†p > 98 3B 86 70 8F 02 00 00 00 00 00 00 00 00 00 00
{263} normal block at 0x0000028F70862F60, 16 bytes long.
Data: <p;†p > 70 3B 86 70 8F 02 00 00 00 00 00 00 00 00 00 00
{261} normal block at 0x0000028F70863050, 16 bytes long.
Data: < Ú…p > 00 DA 85 70 8F 02 00 00 00 00 00 00 00 00 00 00
{260} normal block at 0x0000028F7085DA00, 40 bytes long.
Data: <P0†p Àk p > 50 30 86 70 8F 02 00 00 C0 6B 88 70 8F 02 00 00
{259} normal block at 0x0000028F70862AB0, 16 bytes long.
Data: <P;†p > 50 3B 86 70 8F 02 00 00 00 00 00 00 00 00 00 00
{258} normal block at 0x0000028F70862740, 16 bytes long.
Data: <(;†p > 28 3B 86 70 8F 02 00 00 00 00 00 00 00 00 00 00
{257} normal block at 0x0000028F7085BBD0, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{256} normal block at 0x0000028F70863000, 16 bytes long.
Data: < ;†p > 00 3B 86 70 8F 02 00 00 00 00 00 00 00 00 00 00
{255} normal block at 0x0000028F70863B00, 992 bytes long.
Data: < 0†p л…p > 00 30 86 70 8F 02 00 00 D0 BB 85 70 8F 02 00 00
{91} normal block at 0x0000028F7085C710, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{90} normal block at 0x0000028F70857300, 16 bytes long.
Data: <pÚ…p > 70 DA 85 70 8F 02 00 00 00 00 00 00 00 00 00 00
{89} normal block at 0x0000028F7085DA70, 40 bytes long.
Data: < s…p Ç…p > 00 73 85 70 8F 02 00 00 10 C7 85 70 8F 02 00 00
{68} normal block at 0x0000028F70857260, 16 bytes long.
Data: < ê áö > 80 EA 0D E1 F6 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x0000028F708577B0, 16 bytes long.
Data: <@é áö > 40 E9 0D E1 F6 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x0000028F70856C70, 16 bytes long.
Data: <øW áö > F8 57 0A E1 F6 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x0000028F708574E0, 16 bytes long.
Data: <ØW áö > D8 57 0A E1 F6 7F 00 00 00 00 00 00 00 00 00 00
{64} normal block at 0x0000028F708576C0, 16 bytes long.
Data: <P áö > 50 04 0A E1 F6 7F 00 00 00 00 00 00 00 00 00 00
{63} normal block at 0x0000028F70856C20, 16 bytes long.
Data: <0 áö > 30 04 0A E1 F6 7F 00 00 00 00 00 00 00 00 00 00
{62} normal block at 0x0000028F708571C0, 16 bytes long.
Data: <à áö > E0 02 0A E1 F6 7F 00 00 00 00 00 00 00 00 00 00
{61} normal block at 0x0000028F70857440, 16 bytes long.
Data: < áö > 10 04 0A E1 F6 7F 00 00 00 00 00 00 00 00 00 00
{60} normal block at 0x0000028F70857670, 16 bytes long.
Data: <p áö > 70 04 0A E1 F6 7F 00 00 00 00 00 00 00 00 00 00
{59} normal block at 0x0000028F708570D0, 16 bytes long.
Data: < À áö > 18 C0 08 E1 F6 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
©2026 Universitat Pompeu Fabra