Task 38674347
| Name | test_755-GPUGRID_TEST_ATM_40STEP_20261023-9-40-RND9522_0 |
| Workunit | 31616390 |
| Created | 26 Oct 2026, 5:02:36 UTC |
| Sent | 26 Oct 2026, 5:02:44 UTC |
| Report deadline | 31 Oct 2026, 5:02:44 UTC |
| Received | 26 Oct 2026, 5:45:50 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 647966 |
| Run time | 42 min 26 sec |
| CPU time | 40 min 36 sec |
| Validate state | Valid |
| Credit | 60,000.00 |
| Device peak FLOPS | 29,771.31 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 749.30 MB |
| Peak swap size | 13.42 GB |
| Peak disk usage | 3.02 GB |
Stderr output
<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
11:59:14 (20892): wrapper (7.9.26016): starting
11:59:14 (20892): 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
11:59:16 (20892): Library/usr/bin/tar.exe exited; CPU time 0.000000
11:59:16 (20892): 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\34\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\34\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.
tar: r0/checkpoint.xml: time stamp 2026-10-26 12:02:02 is 155.5459085 s in the future
tar: r1/checkpoint.xml: time stamp 2026-10-26 12:02:03 is 156.2171505 s in the future
tar: r10/checkpoint.xml: time stamp 2026-10-26 12:02:05 is 157.8058506 s in the future
tar: r11/checkpoint.xml: time stamp 2026-10-26 12:02:05 is 157.403908 s in the future
tar: r12/checkpoint.xml: time stamp 2026-10-26 12:02:05 is 157.0705907 s in the future
tar: r13/checkpoint.xml: time stamp 2026-10-26 12:02:05 is 156.6450275 s in the future
tar: r14/checkpoint.xml: time stamp 2026-10-26 12:02:06 is 157.2412259 s in the future
tar: r15/checkpoint.xml: time stamp 2026-10-26 12:02:06 is 156.8477354 s in the future
tar: r16/checkpoint.xml: time stamp 2026-10-26 12:02:06 is 156.4424828 s in the future
tar: r17/checkpoint.xml: time stamp 2026-10-26 12:02:06 is 156.0380343 s in the future
tar: r18/checkpoint.xml: time stamp 2026-10-26 12:02:07 is 156.6233189 s in the future
tar: r19/checkpoint.xml: time stamp 2026-10-26 12:02:07 is 156.2253318 s in the future
tar: r2/checkpoint.xml: time stamp 2026-10-26 12:02:03 is 151.7774288 s in the future
tar: r20/checkpoint.xml: time stamp 2026-10-26 12:02:07 is 154.9704647 s in the future
tar: r21/checkpoint.xml: time stamp 2026-10-26 12:02:07 is 154.1649971 s in the future
tar: r3/checkpoint.xml: time stamp 2026-10-26 12:02:03 is 149.6594508 s in the future
tar: r4/checkpoint.xml: time stamp 2026-10-26 12:02:03 is 149.3336483 s in the future
tar: r5/checkpoint.xml: time stamp 2026-10-26 12:02:03 is 148.9895568 s in the future
tar: r6/checkpoint.xml: time stamp 2026-10-26 12:02:04 is 149.5917599 s in the future
tar: r7/checkpoint.xml: time stamp 2026-10-26 12:02:04 is 149.2461034 s in the future
tar: r8/checkpoint.xml: time stamp 2026-10-26 12:02:04 is 148.9010869 s in the future
tar: r9/checkpoint.xml: time stamp 2026-10-26 12:02:04 is 148.3091935 s in the future
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
12:40:40 (20892): C:/Windows/system32/cmd.exe exited; CPU time 2436.109375
12:40:40 (20892): 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: 36268659 bytes.
Dumping objects ->
{3835242} normal block at 0x000001B1A3A5DD90, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835231} normal block at 0x000001B1A3A5E1F0, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835220} normal block at 0x000001B1A3A5E110, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{3835209} normal block at 0x000001B1A3A5DEE0, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835198} normal block at 0x000001B1A1CC4EF0, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{3835167} normal block at 0x000001B1A3AA91B0, 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) : {3835154} normal block at 0x000001B1A1CBB450, 8 bytes long.
Data: < '¢± > 00 00 27 A2 B1 01 00 00
{3833985} normal block at 0x000001B1A1CBB220, 8 bytes long.
Data: < T³£± > 20 54 B3 A3 B1 01 00 00
..\zip\boinc_zip.cpp(122) : {324} normal block at 0x000001B1A1CC2B70, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{309} normal block at 0x000001B1A1CB7360, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{308} normal block at 0x000001B1A1CC7620, 16 bytes long.
Data: <Ø|Ì¡± > D8 7C CC A1 B1 01 00 00 00 00 00 00 00 00 00 00
{307} normal block at 0x000001B1A1CC6FE0, 16 bytes long.
Data: <°|Ì¡± > B0 7C CC A1 B1 01 00 00 00 00 00 00 00 00 00 00
{306} normal block at 0x000001B1A1CBF380, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{305} normal block at 0x000001B1A1CC7170, 16 bytes long.
Data: < |Ì¡± > 88 7C CC A1 B1 01 00 00 00 00 00 00 00 00 00 00
{304} normal block at 0x000001B1A1CC6A90, 16 bytes long.
Data: <`|Ì¡± > 60 7C CC A1 B1 01 00 00 00 00 00 00 00 00 00 00
{303} normal block at 0x000001B1A1CC7580, 16 bytes long.
Data: <8|Ì¡± > 38 7C CC A1 B1 01 00 00 00 00 00 00 00 00 00 00
{302} normal block at 0x000001B1A1CC7710, 16 bytes long.
Data: < |Ì¡± > 10 7C CC A1 B1 01 00 00 00 00 00 00 00 00 00 00
{301} normal block at 0x000001B1A1CC4FD0, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{300} normal block at 0x000001B1A1CC6A40, 16 bytes long.
Data: <ØþÊ¡± > D8 FE CA A1 B1 01 00 00 00 00 00 00 00 00 00 00
{299} normal block at 0x000001B1A1CBF6E0, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{298} normal block at 0x000001B1A1CC78F0, 16 bytes long.
Data: <°þÊ¡± > B0 FE CA A1 B1 01 00 00 00 00 00 00 00 00 00 00
{296} normal block at 0x000001B1A1CC7530, 16 bytes long.
Data: < þÊ¡± > 88 FE CA A1 B1 01 00 00 00 00 00 00 00 00 00 00
{295} normal block at 0x000001B1A1CC6F90, 16 bytes long.
Data: <`þÊ¡± > 60 FE CA A1 B1 01 00 00 00 00 00 00 00 00 00 00
{294} normal block at 0x000001B1A1CC7800, 16 bytes long.
Data: <8þÊ¡± > 38 FE CA A1 B1 01 00 00 00 00 00 00 00 00 00 00
{293} normal block at 0x000001B1A1CC7490, 16 bytes long.
Data: < þÊ¡± > 10 FE CA A1 B1 01 00 00 00 00 00 00 00 00 00 00
{292} normal block at 0x000001B1A1CC6B30, 16 bytes long.
Data: <èýÊ¡± > E8 FD CA A1 B1 01 00 00 00 00 00 00 00 00 00 00
{291} normal block at 0x000001B1A1CBFBC0, 32 bytes long.
Data: <CUDA_DEVICE=1 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 31 00 50 55
{290} normal block at 0x000001B1A1CC7350, 16 bytes long.
Data: <ÀýÊ¡± > C0 FD CA A1 B1 01 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x000001B1A1CAFDC0, 320 bytes long.
Data: <PsÌ¡± ÀûË¡± > 50 73 CC A1 B1 01 00 00 C0 FB CB A1 B1 01 00 00
{288} normal block at 0x000001B1A1CC6BD0, 16 bytes long.
Data: <ð{Ì¡± > F0 7B CC A1 B1 01 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x000001B1A1CC6EF0, 16 bytes long.
Data: <È{Ì¡± > C8 7B CC A1 B1 01 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x000001B1A1CBFEC0, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{285} normal block at 0x000001B1A1CC70D0, 16 bytes long.
Data: < {Ì¡± > A0 7B CC A1 B1 01 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x000001B1A1CBF320, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{283} normal block at 0x000001B1A1CC6EA0, 16 bytes long.
Data: <èzÌ¡± > E8 7A CC A1 B1 01 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x000001B1A1CC78A0, 16 bytes long.
Data: <ÀzÌ¡± > C0 7A CC A1 B1 01 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x000001B1A1CC73F0, 16 bytes long.
Data: < zÌ¡± > 98 7A CC A1 B1 01 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x000001B1A1CC73A0, 16 bytes long.
Data: <pzÌ¡± > 70 7A CC A1 B1 01 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x000001B1A1CC75D0, 16 bytes long.
Data: <HzÌ¡± > 48 7A CC A1 B1 01 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x000001B1A1CC7940, 16 bytes long.
Data: < zÌ¡± > 20 7A CC A1 B1 01 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x000001B1A1CC7850, 16 bytes long.
Data: < QÌ¡± > 90 51 CC A1 B1 01 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x000001B1A1CC5190, 40 bytes long.
Data: <PxÌ¡± °‘ª£± > 50 78 CC A1 B1 01 00 00 B0 91 AA A3 B1 01 00 00
{274} normal block at 0x000001B1A1CC6B80, 16 bytes long.
Data: < zÌ¡± > 00 7A CC A1 B1 01 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x000001B1A1CC6AE0, 16 bytes long.
Data: <ØyÌ¡± > D8 79 CC A1 B1 01 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x000001B1A1CBF680, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{271} normal block at 0x000001B1A1CC6E50, 16 bytes long.
Data: <°yÌ¡± > B0 79 CC A1 B1 01 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x000001B1A1CC79B0, 992 bytes long.
Data: <PnÌ¡± öË¡± > 50 6E CC A1 B1 01 00 00 80 F6 CB A1 B1 01 00 00
{106} normal block at 0x000001B1A1CBF620, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{105} normal block at 0x000001B1A1CBBFE0, 16 bytes long.
Data: <0MÌ¡± > 30 4D CC A1 B1 01 00 00 00 00 00 00 00 00 00 00
{104} normal block at 0x000001B1A1CC4D30, 40 bytes long.
Data: <à¿Ë¡± öË¡± > E0 BF CB A1 B1 01 00 00 20 F6 CB A1 B1 01 00 00
{83} normal block at 0x000001B1A1CBB7C0, 16 bytes long.
Data: < êž"ö > 80 EA 9E 22 F6 7F 00 00 00 00 00 00 00 00 00 00
{82} normal block at 0x000001B1A1CBBEF0, 16 bytes long.
Data: <@éž"ö > 40 E9 9E 22 F6 7F 00 00 00 00 00 00 00 00 00 00
{81} normal block at 0x000001B1A1CBBEA0, 16 bytes long.
Data: <øW›"ö > F8 57 9B 22 F6 7F 00 00 00 00 00 00 00 00 00 00
{80} normal block at 0x000001B1A1CBB540, 16 bytes long.
Data: <ØW›"ö > D8 57 9B 22 F6 7F 00 00 00 00 00 00 00 00 00 00
{79} normal block at 0x000001B1A1CBBE50, 16 bytes long.
Data: <P ›"ö > 50 04 9B 22 F6 7F 00 00 00 00 00 00 00 00 00 00
{78} normal block at 0x000001B1A1CBBB30, 16 bytes long.
Data: <0 ›"ö > 30 04 9B 22 F6 7F 00 00 00 00 00 00 00 00 00 00
{77} normal block at 0x000001B1A1CBC0D0, 16 bytes long.
Data: <à ›"ö > E0 02 9B 22 F6 7F 00 00 00 00 00 00 00 00 00 00
{76} normal block at 0x000001B1A1CBB3B0, 16 bytes long.
Data: < ›"ö > 10 04 9B 22 F6 7F 00 00 00 00 00 00 00 00 00 00
{75} normal block at 0x000001B1A1CBBDB0, 16 bytes long.
Data: <p ›"ö > 70 04 9B 22 F6 7F 00 00 00 00 00 00 00 00 00 00
{74} normal block at 0x000001B1A1CBB9F0, 16 bytes long.
Data: < À "ö > 18 C0 99 22 F6 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
©2026 Universitat Pompeu Fabra