Task 38685187
| Name | test_60-GPUGRID_TEST_ATM_40STEP_20261023-26-40-RND5548_1 |
| Workunit | 31626590 |
| Created | 27 Oct 2026, 19:51:19 UTC |
| Sent | 27 Oct 2026, 19:51:22 UTC |
| Report deadline | 1 Nov 2026, 19:51:22 UTC |
| Received | 27 Oct 2026, 20:27:59 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 649517 |
| Run time | 36 min 2 sec |
| CPU time | 33 min 3 sec |
| Validate state | Valid |
| Credit | 60,000.00 |
| Device peak FLOPS | 12,956.20 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 721.97 MB |
| Peak swap size | 9.88 GB |
| Peak disk usage | 3.03 GB |
Stderr output
<core_client_version>8.2.8</core_client_version>
<![CDATA[
<stderr_txt>
20:52:38 (61468): wrapper (7.9.26016): starting
20:52:38 (61468): 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
20:52:39 (61468): Library/usr/bin/tar.exe exited; CPU time 0.015625
20:52:39 (61468): 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\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 'C:\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
21:27:34 (61468): C:/Windows/system32/cmd.exe exited; CPU time 1983.687500
21:27:34 (61468): 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: 62877073 bytes.
Dumping objects ->
{3835228} normal block at 0x000002CC315BEA60, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835217} normal block at 0x000002CC315BE590, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835206} normal block at 0x000002CC315BEB40, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{3835195} normal block at 0x000002CC315BE7C0, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835184} normal block at 0x000002CC315BEBB0, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{3835153} normal block at 0x000002CC315BB010, 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) : {3835140} normal block at 0x000002CC2F7E0CC0, 8 bytes long.
Data: < ×/Ì > 00 00 D7 2F CC 02 00 00
{3833987} normal block at 0x000002CC2F7E11C0, 8 bytes long.
Data: < x_1Ì > A0 78 5F 31 CC 02 00 00
..\zip\boinc_zip.cpp(122) : {325} normal block at 0x000002CC2F7D8FE0, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{310} normal block at 0x000002CC2F7D97D0, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{309} normal block at 0x000002CC2F7E8FF0, 16 bytes long.
Data: <è—~/Ì > E8 97 7E 2F CC 02 00 00 00 00 00 00 00 00 00 00
{308} normal block at 0x000002CC2F7E8960, 16 bytes long.
Data: <À—~/Ì > C0 97 7E 2F CC 02 00 00 00 00 00 00 00 00 00 00
{307} normal block at 0x000002CC2F7E1800, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{306} normal block at 0x000002CC2F7E9130, 16 bytes long.
Data: < —~/Ì > 98 97 7E 2F CC 02 00 00 00 00 00 00 00 00 00 00
{305} normal block at 0x000002CC2F7E9090, 16 bytes long.
Data: <p—~/Ì > 70 97 7E 2F CC 02 00 00 00 00 00 00 00 00 00 00
{304} normal block at 0x000002CC2F7E8CD0, 16 bytes long.
Data: <H—~/Ì > 48 97 7E 2F CC 02 00 00 00 00 00 00 00 00 00 00
{303} normal block at 0x000002CC2F7E8D20, 16 bytes long.
Data: < —~/Ì > 20 97 7E 2F CC 02 00 00 00 00 00 00 00 00 00 00
{302} normal block at 0x000002CC2F7E6680, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{301} normal block at 0x000002CC2F7E87D0, 16 bytes long.
Data: <¸ }/Ì > B8 18 7D 2F CC 02 00 00 00 00 00 00 00 00 00 00
{300} normal block at 0x000002CC2F7E1BC0, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{299} normal block at 0x000002CC2F7E90E0, 16 bytes long.
Data: < }/Ì > 90 18 7D 2F CC 02 00 00 00 00 00 00 00 00 00 00
{297} normal block at 0x000002CC2F7E8FA0, 16 bytes long.
Data: <h }/Ì > 68 18 7D 2F CC 02 00 00 00 00 00 00 00 00 00 00
{296} normal block at 0x000002CC2F7E8F50, 16 bytes long.
Data: <@ }/Ì > 40 18 7D 2F CC 02 00 00 00 00 00 00 00 00 00 00
{295} normal block at 0x000002CC2F7E9040, 16 bytes long.
Data: < }/Ì > 18 18 7D 2F CC 02 00 00 00 00 00 00 00 00 00 00
{294} normal block at 0x000002CC2F7E8B90, 16 bytes long.
Data: <ð }/Ì > F0 17 7D 2F CC 02 00 00 00 00 00 00 00 00 00 00
{293} normal block at 0x000002CC2F7E8C80, 16 bytes long.
Data: <È }/Ì > C8 17 7D 2F CC 02 00 00 00 00 00 00 00 00 00 00
{292} normal block at 0x000002CC2F7E2400, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{291} normal block at 0x000002CC2F7E8640, 16 bytes long.
Data: <  }/Ì > A0 17 7D 2F CC 02 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x000002CC2F7D17A0, 320 bytes long.
Data: <@†~/Ì $~/Ì > 40 86 7E 2F CC 02 00 00 00 24 7E 2F CC 02 00 00
{289} normal block at 0x000002CC2F7E8B40, 16 bytes long.
Data: < —~/Ì > 00 97 7E 2F CC 02 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x000002CC2F7E9180, 16 bytes long.
Data: <Ø–~/Ì > D8 96 7E 2F CC 02 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x000002CC2F7E2340, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{286} normal block at 0x000002CC2F7E92C0, 16 bytes long.
Data: <°–~/Ì > B0 96 7E 2F CC 02 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x000002CC2F7E1920, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{284} normal block at 0x000002CC2F7E8AA0, 16 bytes long.
Data: <ø•~/Ì > F8 95 7E 2F CC 02 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x000002CC2F7E9270, 16 bytes long.
Data: <Е~/Ì > D0 95 7E 2F CC 02 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x000002CC2F7E88C0, 16 bytes long.
Data: <¨•~/Ì > A8 95 7E 2F CC 02 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x000002CC2F7E9220, 16 bytes long.
Data: < •~/Ì > 80 95 7E 2F CC 02 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x000002CC2F7E8780, 16 bytes long.
Data: <X•~/Ì > 58 95 7E 2F CC 02 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x000002CC2F7E8EB0, 16 bytes long.
Data: <0•~/Ì > 30 95 7E 2F CC 02 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x000002CC2F7E8F00, 16 bytes long.
Data: <`g~/Ì > 60 67 7E 2F CC 02 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x000002CC2F7E6760, 40 bytes long.
Data: < ~/Ì °[1Ì > 00 8F 7E 2F CC 02 00 00 10 B0 5B 31 CC 02 00 00
{275} normal block at 0x000002CC2F7E8AF0, 16 bytes long.
Data: < •~/Ì > 10 95 7E 2F CC 02 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x000002CC2F7E91D0, 16 bytes long.
Data: <è”~/Ì > E8 94 7E 2F CC 02 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x000002CC2F7E22E0, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{272} normal block at 0x000002CC2F7E8910, 16 bytes long.
Data: <À”~/Ì > C0 94 7E 2F CC 02 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x000002CC2F7E94C0, 992 bytes long.
Data: < ‰~/Ì à"~/Ì > 10 89 7E 2F CC 02 00 00 E0 22 7E 2F CC 02 00 00
{107} normal block at 0x000002CC2F7E2280, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{106} normal block at 0x000002CC2F7E0A90, 16 bytes long.
Data: <àj~/Ì > E0 6A 7E 2F CC 02 00 00 00 00 00 00 00 00 00 00
{105} normal block at 0x000002CC2F7E6AE0, 40 bytes long.
Data: < ~/Ì "~/Ì > 90 0A 7E 2F CC 02 00 00 80 22 7E 2F CC 02 00 00
{84} normal block at 0x000002CC2F7E0680, 16 bytes long.
Data: < êÝÓö > 80 EA DD D3 F6 7F 00 00 00 00 00 00 00 00 00 00
{83} normal block at 0x000002CC2F7E0C70, 16 bytes long.
Data: <@éÝÓö > 40 E9 DD D3 F6 7F 00 00 00 00 00 00 00 00 00 00
{82} normal block at 0x000002CC2F7E1120, 16 bytes long.
Data: <øWÚÓö > F8 57 DA D3 F6 7F 00 00 00 00 00 00 00 00 00 00
{81} normal block at 0x000002CC2F7E0E50, 16 bytes long.
Data: <ØWÚÓö > D8 57 DA D3 F6 7F 00 00 00 00 00 00 00 00 00 00
{80} normal block at 0x000002CC2F7E0770, 16 bytes long.
Data: <P ÚÓö > 50 04 DA D3 F6 7F 00 00 00 00 00 00 00 00 00 00
{79} normal block at 0x000002CC2F7E1210, 16 bytes long.
Data: <0 ÚÓö > 30 04 DA D3 F6 7F 00 00 00 00 00 00 00 00 00 00
{78} normal block at 0x000002CC2F7E1170, 16 bytes long.
Data: <à ÚÓö > E0 02 DA D3 F6 7F 00 00 00 00 00 00 00 00 00 00
{77} normal block at 0x000002CC2F7E1260, 16 bytes long.
Data: < ÚÓö > 10 04 DA D3 F6 7F 00 00 00 00 00 00 00 00 00 00
{76} normal block at 0x000002CC2F7E10D0, 16 bytes long.
Data: <p ÚÓö > 70 04 DA D3 F6 7F 00 00 00 00 00 00 00 00 00 00
{75} normal block at 0x000002CC2F7E0860, 16 bytes long.
Data: < ÀØÓö > 18 C0 D8 D3 F6 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
©2026 Universitat Pompeu Fabra