Task 38674825
| Name | test_901-GPUGRID_TEST_ATM_40STEP_20261023-20-40-RND6361_0 |
| Workunit | 31616836 |
| Created | 26 Oct 2026, 6:26:31 UTC |
| Sent | 26 Oct 2026, 6:26:37 UTC |
| Report deadline | 31 Oct 2026, 6:26:37 UTC |
| Received | 26 Oct 2026, 7:04:41 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 647966 |
| Run time | 37 min 23 sec |
| CPU time | 35 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 | 754.54 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>
13:23:27 (2432): wrapper (7.9.26016): starting
13:23:27 (2432): 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
13:23:29 (2432): Library/usr/bin/tar.exe exited; CPU time 0.000000
13:23:29 (2432): 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\38\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\38\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 13:25:39 is 118.893997 s in the future
tar: r1/checkpoint.xml: time stamp 2026-10-26 13:25:39 is 118.5727217 s in the future
tar: r10/checkpoint.xml: time stamp 2026-10-26 13:25:41 is 120.2445445 s in the future
tar: r11/checkpoint.xml: time stamp 2026-10-26 13:25:42 is 120.919953 s in the future
tar: r12/checkpoint.xml: time stamp 2026-10-26 13:25:42 is 120.5963772 s in the future
tar: r13/checkpoint.xml: time stamp 2026-10-26 13:25:42 is 120.2711178 s in the future
tar: r14/checkpoint.xml: time stamp 2026-10-26 13:25:42 is 119.946356 s in the future
tar: r15/checkpoint.xml: time stamp 2026-10-26 13:25:43 is 120.6225842 s in the future
tar: r16/checkpoint.xml: time stamp 2026-10-26 13:25:43 is 120.2970169 s in the future
tar: r17/checkpoint.xml: time stamp 2026-10-26 13:25:43 is 119.9723556 s in the future
tar: r18/checkpoint.xml: time stamp 2026-10-26 13:25:43 is 119.6484453 s in the future
tar: r19/checkpoint.xml: time stamp 2026-10-26 13:25:44 is 120.323737 s in the future
tar: r2/checkpoint.xml: time stamp 2026-10-26 13:25:39 is 114.999456 s in the future
tar: r20/checkpoint.xml: time stamp 2026-10-26 13:25:44 is 119.675216 s in the future
tar: r21/checkpoint.xml: time stamp 2026-10-26 13:25:44 is 119.3458765 s in the future
tar: r3/checkpoint.xml: time stamp 2026-10-26 13:25:40 is 115.021777 s in the future
tar: r4/checkpoint.xml: time stamp 2026-10-26 13:25:40 is 114.6985148 s in the future
tar: r5/checkpoint.xml: time stamp 2026-10-26 13:25:40 is 114.3716498 s in the future
tar: r6/checkpoint.xml: time stamp 2026-10-26 13:25:40 is 114.0468669 s in the future
tar: r7/checkpoint.xml: time stamp 2026-10-26 13:25:41 is 114.7447782 s in the future
tar: r8/checkpoint.xml: time stamp 2026-10-26 13:25:41 is 114.4190301 s in the future
tar: r9/checkpoint.xml: time stamp 2026-10-26 13:25:41 is 114.0848313 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
13:59:36 (2432): C:/Windows/system32/cmd.exe exited; CPU time 2136.125000
13:59:36 (2432): 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: 35778735 bytes.
Dumping objects ->
{3835242} normal block at 0x0000025791B6E180, 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 0x0000025791B6E420, 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 0x0000025791B6DD20, 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 0x0000025791B6D930, 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 0x000002578FF64C50, 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 0x0000025791BBAAB0, 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 0x000002578FF5B900, 8 bytes long.
Data: < ï W > 00 00 EF 8F 57 02 00 00
{3833985} normal block at 0x000002578FF5B680, 8 bytes long.
Data: < TÄ‘W > 20 54 C4 91 57 02 00 00
..\zip\boinc_zip.cpp(122) : {324} normal block at 0x000002578FF622B0, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{309} normal block at 0x000002578FF57C60, 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 0x000002578FF67670, 16 bytes long.
Data: <Ø|ö W > D8 7C F6 8F 57 02 00 00 00 00 00 00 00 00 00 00
{307} normal block at 0x000002578FF66A40, 16 bytes long.
Data: <°|ö W > B0 7C F6 8F 57 02 00 00 00 00 00 00 00 00 00 00
{306} normal block at 0x000002578FF5F740, 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 0x000002578FF673F0, 16 bytes long.
Data: < |ö W > 88 7C F6 8F 57 02 00 00 00 00 00 00 00 00 00 00
{304} normal block at 0x000002578FF67940, 16 bytes long.
Data: <`|ö W > 60 7C F6 8F 57 02 00 00 00 00 00 00 00 00 00 00
{303} normal block at 0x000002578FF66CC0, 16 bytes long.
Data: <8|ö W > 38 7C F6 8F 57 02 00 00 00 00 00 00 00 00 00 00
{302} normal block at 0x000002578FF66B80, 16 bytes long.
Data: < |ö W > 10 7C F6 8F 57 02 00 00 00 00 00 00 00 00 00 00
{301} normal block at 0x000002578FF65200, 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 0x000002578FF66AE0, 16 bytes long.
Data: <Øþô W > D8 FE F4 8F 57 02 00 00 00 00 00 00 00 00 00 00
{299} normal block at 0x000002578FF5F380, 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 0x000002578FF67350, 16 bytes long.
Data: <°þô W > B0 FE F4 8F 57 02 00 00 00 00 00 00 00 00 00 00
{296} normal block at 0x000002578FF673A0, 16 bytes long.
Data: < þô W > 88 FE F4 8F 57 02 00 00 00 00 00 00 00 00 00 00
{295} normal block at 0x000002578FF67300, 16 bytes long.
Data: <`þô W > 60 FE F4 8F 57 02 00 00 00 00 00 00 00 00 00 00
{294} normal block at 0x000002578FF66C70, 16 bytes long.
Data: <8þô W > 38 FE F4 8F 57 02 00 00 00 00 00 00 00 00 00 00
{293} normal block at 0x000002578FF672B0, 16 bytes long.
Data: < þô W > 10 FE F4 8F 57 02 00 00 00 00 00 00 00 00 00 00
{292} normal block at 0x000002578FF66C20, 16 bytes long.
Data: <èýô W > E8 FD F4 8F 57 02 00 00 00 00 00 00 00 00 00 00
{291} normal block at 0x000002578FF5F200, 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 0x000002578FF66EF0, 16 bytes long.
Data: <Àýô W > C0 FD F4 8F 57 02 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x000002578FF4FDC0, 320 bytes long.
Data: <ðnö W òõ W > F0 6E F6 8F 57 02 00 00 00 F2 F5 8F 57 02 00 00
{288} normal block at 0x000002578FF66A90, 16 bytes long.
Data: <ð{ö W > F0 7B F6 8F 57 02 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x000002578FF678F0, 16 bytes long.
Data: <È{ö W > C8 7B F6 8F 57 02 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x000002578FF5FB60, 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 0x000002578FF67620, 16 bytes long.
Data: < {ö W > A0 7B F6 8F 57 02 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x000002578FF5FAA0, 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 0x000002578FF66EA0, 16 bytes long.
Data: <èzö W > E8 7A F6 8F 57 02 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x000002578FF66E50, 16 bytes long.
Data: <Àzö W > C0 7A F6 8F 57 02 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x000002578FF66E00, 16 bytes long.
Data: < zö W > 98 7A F6 8F 57 02 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x000002578FF67260, 16 bytes long.
Data: <pzö W > 70 7A F6 8F 57 02 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x000002578FF67800, 16 bytes long.
Data: <Hzö W > 48 7A F6 8F 57 02 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x000002578FF675D0, 16 bytes long.
Data: < zö W > 20 7A F6 8F 57 02 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x000002578FF67210, 16 bytes long.
Data: <ðNö W > F0 4E F6 8F 57 02 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x000002578FF64EF0, 40 bytes long.
Data: < rö W °ª»‘W > 10 72 F6 8F 57 02 00 00 B0 AA BB 91 57 02 00 00
{274} normal block at 0x000002578FF66DB0, 16 bytes long.
Data: < zö W > 00 7A F6 8F 57 02 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x000002578FF67850, 16 bytes long.
Data: <Øyö W > D8 79 F6 8F 57 02 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x000002578FF5F7A0, 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 0x000002578FF671C0, 16 bytes long.
Data: <°yö W > B0 79 F6 8F 57 02 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x000002578FF679B0, 992 bytes long.
Data: <Àqö W  ÷õ W > C0 71 F6 8F 57 02 00 00 A0 F7 F5 8F 57 02 00 00
{106} normal block at 0x000002578FF5FA40, 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 0x000002578FF5BFE0, 16 bytes long.
Data: < Mö W > A0 4D F6 8F 57 02 00 00 00 00 00 00 00 00 00 00
{104} normal block at 0x000002578FF64DA0, 40 bytes long.
Data: <à¿õ W @úõ W > E0 BF F5 8F 57 02 00 00 40 FA F5 8F 57 02 00 00
{83} normal block at 0x000002578FF5BA90, 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 0x000002578FF5BB80, 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 0x000002578FF5B5E0, 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 0x000002578FF5B720, 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 0x000002578FF5BF90, 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 0x000002578FF5C030, 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 0x000002578FF5BD60, 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 0x000002578FF5B1D0, 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 0x000002578FF5B450, 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 0x000002578FF5B8B0, 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>
]]>
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