Task 38607067
| Name | CDK2_A06_A01_r0_2-QUICO_ATM_GAFF2_NAGL_CDK2-0-6-RND3951_0 |
| Workunit | 31560740 |
| Created | 14 Apr 2026, 8:35:32 UTC |
| Sent | 14 Apr 2026, 8:35:54 UTC |
| Report deadline | 19 Apr 2026, 8:35:54 UTC |
| Received | 14 Apr 2026, 19:05:49 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 598225 |
| Run time | 10 hours 10 min 34 sec |
| CPU time | 10 hours 10 min 34 sec |
| Validate state | Valid |
| Credit | 750,000.00 |
| Device peak FLOPS | 10,948.05 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 733.44 MB |
| Peak swap size | 7.08 GB |
| Peak disk usage | 3.88 GB |
Stderr output
<core_client_version>8.0.2</core_client_version>
<![CDATA[
<stderr_txt>
04:58:15 (51876): wrapper (7.9.26016): starting
04:58:15 (51876): wrapper: running Library/usr/bin/tar.exe (xjvf input.tar.bz2)
QB_A06_A01_0.pdb
QB_A06_A01_0.xml
QB_A06_A01.inpcrd
QB_A06_A01_input.yaml
QB_A06_A01.pdb
QB_A06_A01.prmtop
QB_A06_A01_sys.xml
run.bat
run.sh
04:58:17 (51876): Library/usr/bin/tar.exe exited; CPU time 0.000000
04:58:17 (51876): 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: Exiting with failure status due to previous errors
15:05:05 (51876): C:/Windows/system32/cmd.exe exited; CPU time 36634.046875
15:05:05 (51876): called boinc_finish(0)
0 bytes in 0 Free Blocks.
658 bytes in 8 Normal Blocks.
2288 bytes in 2 CRT Blocks.
0 bytes in 0 Ignore Blocks.
0 bytes in 0 Client Blocks.
Largest number used: 0 bytes.
Total allocations: 576578231 bytes.
Dumping objects ->
{3835316} normal block at 0x00000271F0A9B410, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835305} normal block at 0x00000271F0A74F00, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835294} normal block at 0x00000271F0A75130, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{3835283} normal block at 0x00000271F0A75440, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835272} normal block at 0x00000271F0A750C0, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{3835241} normal block at 0x00000271F2719D20, 64 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835230} normal block at 0x00000271F0A6AE50, 201 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) : {3835227} normal block at 0x00000271F0A6D810, 8 bytes long.
Data: < Ÿðq > 00 00 9F F0 71 02 00 00
{3834584} normal block at 0x00000271F0A6AD40, 201 bytes long.
Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65
{3833959} normal block at 0x00000271F0A6D450, 8 bytes long.
Data: <ÀÙ¥ðq > C0 D9 A5 F0 71 02 00 00
..\zip\boinc_zip.cpp(122) : {311} normal block at 0x00000271F0A612B0, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{296} normal block at 0x00000271F0A61CF0, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{295} normal block at 0x00000271F0A75BC0, 16 bytes long.
Data: < m§ðq > 18 6D A7 F0 71 02 00 00 00 00 00 00 00 00 00 00
{294} normal block at 0x00000271F0A75B20, 16 bytes long.
Data: <ðl§ðq > F0 6C A7 F0 71 02 00 00 00 00 00 00 00 00 00 00
{293} normal block at 0x00000271F0A71680, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{292} normal block at 0x00000271F0A75D00, 16 bytes long.
Data: <Èl§ðq > C8 6C A7 F0 71 02 00 00 00 00 00 00 00 00 00 00
{291} normal block at 0x00000271F0A76250, 16 bytes long.
Data: < l§ðq > A0 6C A7 F0 71 02 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x00000271F0A76200, 16 bytes long.
Data: <xl§ðq > 78 6C A7 F0 71 02 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x00000271F0A76660, 16 bytes long.
Data: <Pl§ðq > 50 6C A7 F0 71 02 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x00000271F0A74F70, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{287} normal block at 0x00000271F0A761B0, 16 bytes long.
Data: < õ¥ðq > 18 F5 A5 F0 71 02 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x00000271F0A71920, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{285} normal block at 0x00000271F0A75CB0, 16 bytes long.
Data: <ðô¥ðq > F0 F4 A5 F0 71 02 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x00000271F0A760C0, 16 bytes long.
Data: <Èô¥ðq > C8 F4 A5 F0 71 02 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x00000271F0A767A0, 16 bytes long.
Data: < ô¥ðq > A0 F4 A5 F0 71 02 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x00000271F0A76070, 16 bytes long.
Data: <xô¥ðq > 78 F4 A5 F0 71 02 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x00000271F0A768E0, 16 bytes long.
Data: <Pô¥ðq > 50 F4 A5 F0 71 02 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x00000271F0A75F30, 16 bytes long.
Data: <(ô¥ðq > 28 F4 A5 F0 71 02 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x00000271F0A713E0, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{277} normal block at 0x00000271F0A75DA0, 16 bytes long.
Data: < ô¥ðq > 00 F4 A5 F0 71 02 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x00000271F0A5F400, 320 bytes long.
Data: < ]§ðq à §ðq > A0 5D A7 F0 71 02 00 00 E0 13 A7 F0 71 02 00 00
{275} normal block at 0x00000271F0A76610, 16 bytes long.
Data: <0l§ðq > 30 6C A7 F0 71 02 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x00000271F0A76980, 16 bytes long.
Data: < l§ðq > 08 6C A7 F0 71 02 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x00000271F0A71020, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{272} normal block at 0x00000271F0A762A0, 16 bytes long.
Data: <àk§ðq > E0 6B A7 F0 71 02 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x00000271F0A70F60, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{270} normal block at 0x00000271F0A765C0, 16 bytes long.
Data: <(k§ðq > 28 6B A7 F0 71 02 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x00000271F0A76930, 16 bytes long.
Data: < k§ðq > 00 6B A7 F0 71 02 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x00000271F0A76160, 16 bytes long.
Data: <Øj§ðq > D8 6A A7 F0 71 02 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x00000271F0A75F80, 16 bytes long.
Data: <°j§ðq > B0 6A A7 F0 71 02 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x00000271F0A76110, 16 bytes long.
Data: < j§ðq > 88 6A A7 F0 71 02 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x00000271F0A76480, 16 bytes long.
Data: <`j§ðq > 60 6A A7 F0 71 02 00 00 00 00 00 00 00 00 00 00
{263} normal block at 0x00000271F0A76340, 16 bytes long.
Data: < Q§ðq > A0 51 A7 F0 71 02 00 00 00 00 00 00 00 00 00 00
{262} normal block at 0x00000271F0A751A0, 40 bytes long.
Data: <@c§ðq qòq > 40 63 A7 F0 71 02 00 00 20 9D 71 F2 71 02 00 00
{261} normal block at 0x00000271F0A767F0, 16 bytes long.
Data: <@j§ðq > 40 6A A7 F0 71 02 00 00 00 00 00 00 00 00 00 00
{260} normal block at 0x00000271F0A76520, 16 bytes long.
Data: < j§ðq > 18 6A A7 F0 71 02 00 00 00 00 00 00 00 00 00 00
{259} normal block at 0x00000271F0A71200, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{258} normal block at 0x00000271F0A76890, 16 bytes long.
Data: <ði§ðq > F0 69 A7 F0 71 02 00 00 00 00 00 00 00 00 00 00
{257} normal block at 0x00000271F0A769F0, 992 bytes long.
Data: < h§ðq §ðq > 90 68 A7 F0 71 02 00 00 00 12 A7 F0 71 02 00 00
{93} normal block at 0x00000271F0A71260, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{92} normal block at 0x00000271F0A6D400, 16 bytes long.
Data: <Pæ¥ðq > 50 E6 A5 F0 71 02 00 00 00 00 00 00 00 00 00 00
{91} normal block at 0x00000271F0A5E650, 40 bytes long.
Data: < Ô¦ðq ` §ðq > 00 D4 A6 F0 71 02 00 00 60 12 A7 F0 71 02 00 00
{70} normal block at 0x00000271F0A6D6D0, 16 bytes long.
Data: < ê´Ìö > 80 EA B4 CC F6 7F 00 00 00 00 00 00 00 00 00 00
{69} normal block at 0x00000271F0A6DF40, 16 bytes long.
Data: <@é´Ìö > 40 E9 B4 CC F6 7F 00 00 00 00 00 00 00 00 00 00
{68} normal block at 0x00000271F0A6DDB0, 16 bytes long.
Data: <øW±Ìö > F8 57 B1 CC F6 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x00000271F0A6DE00, 16 bytes long.
Data: <ØW±Ìö > D8 57 B1 CC F6 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x00000271F0A6DD60, 16 bytes long.
Data: <P ±Ìö > 50 04 B1 CC F6 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x00000271F0A6DAE0, 16 bytes long.
Data: <0 ±Ìö > 30 04 B1 CC F6 7F 00 00 00 00 00 00 00 00 00 00
{64} normal block at 0x00000271F0A6DB80, 16 bytes long.
Data: <à ±Ìö > E0 02 B1 CC F6 7F 00 00 00 00 00 00 00 00 00 00
{63} normal block at 0x00000271F0A6DCC0, 16 bytes long.
Data: < ±Ìö > 10 04 B1 CC F6 7F 00 00 00 00 00 00 00 00 00 00
{62} normal block at 0x00000271F0A6D270, 16 bytes long.
Data: <p ±Ìö > 70 04 B1 CC F6 7F 00 00 00 00 00 00 00 00 00 00
{61} normal block at 0x00000271F0A6D9A0, 16 bytes long.
Data: < À¯Ìö > 18 C0 AF CC F6 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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