Task 38697883
| Name | test_886-GPUGRID_TEST_ATM_40STEP_20261023-27-40-RND8701_0 |
| Workunit | 31638428 |
| Created | 1 Nov 2026, 23:11:06 UTC |
| Sent | 1 Nov 2026, 23:11:08 UTC |
| Report deadline | 6 Nov 2026, 23:11:08 UTC |
| Received | 2 Nov 2026, 0:52:04 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 630817 |
| Run time | 51 min 37 sec |
| CPU time | 47 min 28 sec |
| Validate state | Valid |
| Credit | 60,000.00 |
| Device peak FLOPS | 13,451.30 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 747.84 MB |
| Peak swap size | 24.91 GB |
| Peak disk usage | 3.03 GB |
Stderr output
<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
00:03:08 (12368): wrapper (7.9.26016): starting
00:03:08 (12368): 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
00:03:12 (12368): Library/usr/bin/tar.exe exited; CPU time 0.000000
00:03:12 (12368): 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\15\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\15\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 2026-11-02 02:10:02 is 7585.4829408 s in the future
tar: r1/checkpoint.xml: time stamp 2026-11-02 02:10:02 is 7584.8566982 s in the future
tar: r10/checkpoint.xml: time stamp 2026-11-02 02:10:06 is 7588.0128606 s in the future
tar: r11/checkpoint.xml: time stamp 2026-11-02 02:10:06 is 7587.1814256 s in the future
tar: r12/checkpoint.xml: time stamp 2026-11-02 02:10:07 is 7587.4598913 s in the future
tar: r13/checkpoint.xml: time stamp 2026-11-02 02:10:07 is 7586.7291521 s in the future
tar: r14/checkpoint.xml: time stamp 2026-11-02 02:10:08 is 7587.0977915 s in the future
tar: r15/checkpoint.xml: time stamp 2026-11-02 02:10:08 is 7586.4185097 s in the future
tar: r16/checkpoint.xml: time stamp 2026-11-02 02:10:08 is 7585.7841528 s in the future
tar: r17/checkpoint.xml: time stamp 2026-11-02 02:10:09 is 7585.9916803 s in the future
tar: r18/checkpoint.xml: time stamp 2026-11-02 02:10:09 is 7585.2200651 s in the future
tar: r19/checkpoint.xml: time stamp 2026-11-02 02:10:10 is 7585.5242958 s in the future
tar: r2/checkpoint.xml: time stamp 2026-11-02 02:10:03 is 7577.8086055 s in the future
tar: r20/checkpoint.xml: time stamp 2026-11-02 02:10:10 is 7584.1523016 s in the future
tar: r21/checkpoint.xml: time stamp 2026-11-02 02:10:11 is 7584.4592184 s in the future
tar: r3/checkpoint.xml: time stamp 2026-11-02 02:10:03 is 7575.8210992 s in the future
tar: r4/checkpoint.xml: time stamp 2026-11-02 02:10:03 is 7575.1583025 s in the future
tar: r5/checkpoint.xml: time stamp 2026-11-02 02:10:04 is 7575.4616701 s in the future
tar: r6/checkpoint.xml: time stamp 2026-11-02 02:10:04 is 7574.817653 s in the future
tar: r7/checkpoint.xml: time stamp 2026-11-02 02:10:05 is 7575.1688655 s in the future
tar: r8/checkpoint.xml: time stamp 2026-11-02 02:10:05 is 7574.5023469 s in the future
tar: r9/checkpoint.xml: time stamp 2026-11-02 02:10:05 is 7573.8830276 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
00:51:23 (12368): C:/Windows/system32/cmd.exe exited; CPU time 2848.187500
00:51:23 (12368): called boinc_finish(0)
0 bytes in 0 Free Blocks.
616 bytes in 8 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: 52142993 bytes.
Dumping objects ->
{3835234} normal block at 0x000001D37B861020, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835223} normal block at 0x000001D37B861560, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835212} normal block at 0x000001D37B8608B0, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{3835201} normal block at 0x000001D37B861170, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835190} normal block at 0x000001D37B8614F0, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{3835159} normal block at 0x000001D37B951D20, 64 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835148} normal block at 0x000001D379B27640, 180 bytes long.
Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65
..\api\boinc_api.cpp(309) : {3835144} normal block at 0x000001D379AF7260, 8 bytes long.
Data: < §yÓ > 00 00 A7 79 D3 01 00 00
{3834543} normal block at 0x000001D379B26DD0, 180 bytes long.
Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65
{3833943} normal block at 0x000001D379AF7DA0, 8 bytes long.
Data: < ž{Ó > 00 14 9E 7B D3 01 00 00
..\zip\boinc_zip.cpp(122) : {303} normal block at 0x000001D379B00BA0, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x000001D379AEB500, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{287} normal block at 0x000001D379B02040, 16 bytes long.
Data: <(C°yÓ > 28 43 B0 79 D3 01 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x000001D379B02950, 16 bytes long.
Data: < C°yÓ > 00 43 B0 79 D3 01 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x000001D379AFD630, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{284} normal block at 0x000001D379B01FA0, 16 bytes long.
Data: <ØB°yÓ > D8 42 B0 79 D3 01 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x000001D379B02180, 16 bytes long.
Data: <°B°yÓ > B0 42 B0 79 D3 01 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x000001D379B02A40, 16 bytes long.
Data: < B°yÓ > 88 42 B0 79 D3 01 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x000001D379B026D0, 16 bytes long.
Data: <`B°yÓ > 60 42 B0 79 D3 01 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x000001D379AFC5A0, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{279} normal block at 0x000001D379B02680, 16 bytes long.
Data: <ØЯyÓ > D8 D0 AF 79 D3 01 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x000001D379AFD690, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{277} normal block at 0x000001D379B02900, 16 bytes long.
Data: <°Ð¯yÓ > B0 D0 AF 79 D3 01 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x000001D379B024F0, 16 bytes long.
Data: < ЯyÓ > 88 D0 AF 79 D3 01 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x000001D379B02130, 16 bytes long.
Data: <`ЯyÓ > 60 D0 AF 79 D3 01 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x000001D379B01D20, 16 bytes long.
Data: <8ЯyÓ > 38 D0 AF 79 D3 01 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x000001D379B024A0, 16 bytes long.
Data: < ЯyÓ > 10 D0 AF 79 D3 01 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x000001D379B02090, 16 bytes long.
Data: <èϯyÓ > E8 CF AF 79 D3 01 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x000001D379AFD210, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{269} normal block at 0x000001D379B020E0, 16 bytes long.
Data: <ÀϯyÓ > C0 CF AF 79 D3 01 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x000001D379AFCFC0, 320 bytes long.
Data: <à °yÓ Ò¯yÓ > E0 20 B0 79 D3 01 00 00 10 D2 AF 79 D3 01 00 00
{267} normal block at 0x000001D379B02450, 16 bytes long.
Data: <@B°yÓ > 40 42 B0 79 D3 01 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x000001D379B02AE0, 16 bytes long.
Data: < B°yÓ > 18 42 B0 79 D3 01 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x000001D379AFD810, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{264} normal block at 0x000001D379B027C0, 16 bytes long.
Data: <ðA°yÓ > F0 41 B0 79 D3 01 00 00 00 00 00 00 00 00 00 00
{263} normal block at 0x000001D379AFE0B0, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{262} normal block at 0x000001D379B01C80, 16 bytes long.
Data: <8A°yÓ > 38 41 B0 79 D3 01 00 00 00 00 00 00 00 00 00 00
{261} normal block at 0x000001D379B01FF0, 16 bytes long.
Data: < A°yÓ > 10 41 B0 79 D3 01 00 00 00 00 00 00 00 00 00 00
{260} normal block at 0x000001D379B02360, 16 bytes long.
Data: <è@°yÓ > E8 40 B0 79 D3 01 00 00 00 00 00 00 00 00 00 00
{259} normal block at 0x000001D379B02770, 16 bytes long.
Data: <À@°yÓ > C0 40 B0 79 D3 01 00 00 00 00 00 00 00 00 00 00
{258} normal block at 0x000001D379B028B0, 16 bytes long.
Data: < @°yÓ > 98 40 B0 79 D3 01 00 00 00 00 00 00 00 00 00 00
{257} normal block at 0x000001D379B02310, 16 bytes long.
Data: <p@°yÓ > 70 40 B0 79 D3 01 00 00 00 00 00 00 00 00 00 00
{255} normal block at 0x000001D379B025E0, 16 bytes long.
Data: < ¾¯yÓ > A0 BE AF 79 D3 01 00 00 00 00 00 00 00 00 00 00
{254} normal block at 0x000001D379AFBEA0, 40 bytes long.
Data: <à%°yÓ •{Ó > E0 25 B0 79 D3 01 00 00 20 1D 95 7B D3 01 00 00
{253} normal block at 0x000001D379B029A0, 16 bytes long.
Data: <P@°yÓ > 50 40 B0 79 D3 01 00 00 00 00 00 00 00 00 00 00
{252} normal block at 0x000001D379B023B0, 16 bytes long.
Data: <(@°yÓ > 28 40 B0 79 D3 01 00 00 00 00 00 00 00 00 00 00
{251} normal block at 0x000001D379AFD990, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{250} normal block at 0x000001D379B02720, 16 bytes long.
Data: < @°yÓ > 00 40 B0 79 D3 01 00 00 00 00 00 00 00 00 00 00
{249} normal block at 0x000001D379B04000, 992 bytes long.
Data: < '°yÓ Ù¯yÓ > 20 27 B0 79 D3 01 00 00 90 D9 AF 79 D3 01 00 00
{85} normal block at 0x000001D379AFDED0, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{84} normal block at 0x000001D379AF7350, 16 bytes long.
Data: <0ůyÓ > 30 C5 AF 79 D3 01 00 00 00 00 00 00 00 00 00 00
{83} normal block at 0x000001D379AFC530, 40 bytes long.
Data: <Ps¯yÓ ÐÞ¯yÓ > 50 73 AF 79 D3 01 00 00 D0 DE AF 79 D3 01 00 00
{62} normal block at 0x000001D379AF7AD0, 16 bytes long.
Data: <€ê +ö > 80 EA 20 2B F6 7F 00 00 00 00 00 00 00 00 00 00
{61} normal block at 0x000001D379AF78F0, 16 bytes long.
Data: <@é +ö > 40 E9 20 2B F6 7F 00 00 00 00 00 00 00 00 00 00
{60} normal block at 0x000001D379AF7710, 16 bytes long.
Data: <øW +ö > F8 57 1D 2B F6 7F 00 00 00 00 00 00 00 00 00 00
{59} normal block at 0x000001D379AF7F80, 16 bytes long.
Data: <ØW +ö > D8 57 1D 2B F6 7F 00 00 00 00 00 00 00 00 00 00
{58} normal block at 0x000001D379AF7670, 16 bytes long.
Data: <P +ö > 50 04 1D 2B F6 7F 00 00 00 00 00 00 00 00 00 00
{57} normal block at 0x000001D379AF7620, 16 bytes long.
Data: <0 +ö > 30 04 1D 2B F6 7F 00 00 00 00 00 00 00 00 00 00
{56} normal block at 0x000001D379AF7EE0, 16 bytes long.
Data: <à +ö > E0 02 1D 2B F6 7F 00 00 00 00 00 00 00 00 00 00
{55} normal block at 0x000001D379AF7F30, 16 bytes long.
Data: < +ö > 10 04 1D 2B F6 7F 00 00 00 00 00 00 00 00 00 00
{54} normal block at 0x000001D379AF76C0, 16 bytes long.
Data: <p +ö > 70 04 1D 2B F6 7F 00 00 00 00 00 00 00 00 00 00
{53} normal block at 0x000001D379AF7A80, 16 bytes long.
Data: < À +ö > 18 C0 1B 2B F6 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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