Task 38698419
| Name | test_903-GPUGRID_TEST_ATM_40STEP_20261023-32-40-RND1081_0 |
| Workunit | 31638940 |
| Created | 2 Nov 2026, 13:42:51 UTC |
| Sent | 2 Nov 2026, 13:42:53 UTC |
| Report deadline | 7 Nov 2026, 13:42:53 UTC |
| Received | 2 Nov 2026, 13:59:08 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 626382 |
| Run time | 15 min 52 sec |
| CPU time | 14 min 44 sec |
| Validate state | Valid |
| Credit | 60,000.00 |
| Device peak FLOPS | 53,149.23 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 736.87 MB |
| Peak swap size | 7.01 GB |
| Peak disk usage | 4.19 GB |
Stderr output
<core_client_version>8.2.8</core_client_version>
<![CDATA[
<stderr_txt>
14:43:44 (18416): wrapper (7.9.26016): starting
14:43:44 (18416): 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
14:43:45 (18416): Library/usr/bin/tar.exe exited; CPU time 0.000000
14:43:45 (18416): 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: r*/*.xtc: Cannot stat: No such file or directory
tar: Exiting with failure status due to previous errors
14:58:50 (18416): C:/Windows/system32/cmd.exe exited; CPU time 884.203125
14:58:50 (18416): 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: 20567069 bytes.
Dumping objects ->
{3835207} normal block at 0x00000149DD79FA10, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835196} normal block at 0x00000149DD79F770, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835185} normal block at 0x00000149DBB94A20, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{3835174} normal block at 0x00000149DBB949B0, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835163} normal block at 0x00000149DBB95040, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{3835132} normal block at 0x00000149DD7CCCE0, 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) : {3835119} normal block at 0x00000149DBB8D1F0, 8 bytes long.
Data: < ¶ÛI > 00 00 B6 DB 49 01 00 00
{3833963} normal block at 0x00000149DBB8D420, 8 bytes long.
Data: <ÀD¹ÛI > C0 44 B9 DB 49 01 00 00
..\zip\boinc_zip.cpp(122) : {313} normal block at 0x00000149DBB915D0, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{298} normal block at 0x00000149DBB85DC0, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{297} normal block at 0x00000149DBB95B70, 16 bytes long.
Data: <¨d¹ÛI > A8 64 B9 DB 49 01 00 00 00 00 00 00 00 00 00 00
{296} normal block at 0x00000149DBB95B20, 16 bytes long.
Data: < d¹ÛI > 80 64 B9 DB 49 01 00 00 00 00 00 00 00 00 00 00
{295} normal block at 0x00000149DBB8EF20, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{294} normal block at 0x00000149DBB957B0, 16 bytes long.
Data: <Xd¹ÛI > 58 64 B9 DB 49 01 00 00 00 00 00 00 00 00 00 00
{293} normal block at 0x00000149DBB95A30, 16 bytes long.
Data: <0d¹ÛI > 30 64 B9 DB 49 01 00 00 00 00 00 00 00 00 00 00
{292} normal block at 0x00000149DBB95C10, 16 bytes long.
Data: < d¹ÛI > 08 64 B9 DB 49 01 00 00 00 00 00 00 00 00 00 00
{291} normal block at 0x00000149DBB95FD0, 16 bytes long.
Data: <àc¹ÛI > E0 63 B9 DB 49 01 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x00000149DBB94B00, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{289} normal block at 0x00000149DBB960C0, 16 bytes long.
Data: <h¸·ÛI > 68 B8 B7 DB 49 01 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x00000149DBB8F820, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{287} normal block at 0x00000149DBB95440, 16 bytes long.
Data: <@¸·ÛI > 40 B8 B7 DB 49 01 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x00000149DBB95BC0, 16 bytes long.
Data: < ¸·ÛI > 18 B8 B7 DB 49 01 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x00000149DBB95F80, 16 bytes long.
Data: <ð··ÛI > F0 B7 B7 DB 49 01 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x00000149DBB954E0, 16 bytes long.
Data: <È··ÛI > C8 B7 B7 DB 49 01 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x00000149DBB95DA0, 16 bytes long.
Data: < ··ÛI > A0 B7 B7 DB 49 01 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x00000149DBB95AD0, 16 bytes long.
Data: <x··ÛI > 78 B7 B7 DB 49 01 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x00000149DBB8F580, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{279} normal block at 0x00000149DBB95670, 16 bytes long.
Data: <P··ÛI > 50 B7 B7 DB 49 01 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x00000149DBB7B750, 320 bytes long.
Data: <pV¹ÛI õ¸ÛI > 70 56 B9 DB 49 01 00 00 80 F5 B8 DB 49 01 00 00
{277} normal block at 0x00000149DBB95F30, 16 bytes long.
Data: <Àc¹ÛI > C0 63 B9 DB 49 01 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x00000149DBB95760, 16 bytes long.
Data: < c¹ÛI > 98 63 B9 DB 49 01 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x00000149DBB8F7C0, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{274} normal block at 0x00000149DBB95350, 16 bytes long.
Data: <pc¹ÛI > 70 63 B9 DB 49 01 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x00000149DBB8EF80, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{272} normal block at 0x00000149DBB95210, 16 bytes long.
Data: <¸b¹ÛI > B8 62 B9 DB 49 01 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x00000149DBB95850, 16 bytes long.
Data: < b¹ÛI > 90 62 B9 DB 49 01 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x00000149DBB95260, 16 bytes long.
Data: <hb¹ÛI > 68 62 B9 DB 49 01 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x00000149DBB95CB0, 16 bytes long.
Data: <@b¹ÛI > 40 62 B9 DB 49 01 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x00000149DBB952B0, 16 bytes long.
Data: < b¹ÛI > 18 62 B9 DB 49 01 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x00000149DBB95A80, 16 bytes long.
Data: <ða¹ÛI > F0 61 B9 DB 49 01 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x00000149DBB95990, 16 bytes long.
Data: <ðN¹ÛI > F0 4E B9 DB 49 01 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x00000149DBB94EF0, 40 bytes long.
Data: < Y¹ÛI àÌ|ÝI > 90 59 B9 DB 49 01 00 00 E0 CC 7C DD 49 01 00 00
{263} normal block at 0x00000149DBB959E0, 16 bytes long.
Data: <Ða¹ÛI > D0 61 B9 DB 49 01 00 00 00 00 00 00 00 00 00 00
{262} normal block at 0x00000149DBB95D00, 16 bytes long.
Data: <¨a¹ÛI > A8 61 B9 DB 49 01 00 00 00 00 00 00 00 00 00 00
{261} normal block at 0x00000149DBB8F880, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{260} normal block at 0x00000149DBB956C0, 16 bytes long.
Data: < a¹ÛI > 80 61 B9 DB 49 01 00 00 00 00 00 00 00 00 00 00
{259} normal block at 0x00000149DBB96180, 992 bytes long.
Data: <ÀV¹ÛI ø¸ÛI > C0 56 B9 DB 49 01 00 00 80 F8 B8 DB 49 01 00 00
{95} normal block at 0x00000149DBB8F6A0, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{94} normal block at 0x00000149DBB8CE30, 16 bytes long.
Data: <0è·ÛI > 30 E8 B7 DB 49 01 00 00 00 00 00 00 00 00 00 00
{93} normal block at 0x00000149DBB7E830, 40 bytes long.
Data: <0θÛI  ö¸ÛI > 30 CE B8 DB 49 01 00 00 A0 F6 B8 DB 49 01 00 00
{72} normal block at 0x00000149DBB8D650, 16 bytes long.
Data: < ê  ö > 80 EA A0 14 F6 7F 00 00 00 00 00 00 00 00 00 00
{71} normal block at 0x00000149DBB8D0B0, 16 bytes long.
Data: <@é  ö > 40 E9 A0 14 F6 7F 00 00 00 00 00 00 00 00 00 00
{70} normal block at 0x00000149DBB8DAB0, 16 bytes long.
Data: <øW ö > F8 57 9D 14 F6 7F 00 00 00 00 00 00 00 00 00 00
{69} normal block at 0x00000149DBB8CC00, 16 bytes long.
Data: <ØW ö > D8 57 9D 14 F6 7F 00 00 00 00 00 00 00 00 00 00
{68} normal block at 0x00000149DBB8D010, 16 bytes long.
Data: <P ö > 50 04 9D 14 F6 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x00000149DBB8D060, 16 bytes long.
Data: <0 ö > 30 04 9D 14 F6 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x00000149DBB8D4C0, 16 bytes long.
Data: <à ö > E0 02 9D 14 F6 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x00000149DBB8D3D0, 16 bytes long.
Data: < ö > 10 04 9D 14 F6 7F 00 00 00 00 00 00 00 00 00 00
{64} normal block at 0x00000149DBB8CF70, 16 bytes long.
Data: <p ö > 70 04 9D 14 F6 7F 00 00 00 00 00 00 00 00 00 00
{63} normal block at 0x00000149DBB8D970, 16 bytes long.
Data: < À› ö > 18 C0 9B 14 F6 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
©2026 Universitat Pompeu Fabra