Task 38677607

Name test_184-GPUGRID_TEST_ATM_40STEP_20261023-28-40-RND1419_0
Workunit 31619473
Created 26 Oct 2026, 14:50:35 UTC
Sent 26 Oct 2026, 14:50:37 UTC
Report deadline 31 Oct 2026, 14:50:37 UTC
Received 26 Oct 2026, 16:44:39 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 648105
Run time 41 min 56 sec
CPU time 39 min 51 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 6,806.17 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 660.98 MB
Peak swap size 2.96 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.13</core_client_version>
<![CDATA[
<stderr_txt>
12:00:02 (33228): wrapper (7.9.26016): starting
12:00:02 (33228): 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
12:00:16 (33228): Library/usr/bin/tar.exe exited; CPU time 0.218750
12:00:16 (33228): 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\1\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\1\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
12:44:20 (33228): C:/Windows/system32/cmd.exe exited; CPU time 2390.843750
12:44:20 (33228): 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: 62296321 bytes.
Dumping objects ->
{3835277} normal block at 0x0000024CC2CED310, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835266} normal block at 0x0000024CC2CECAC0, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835255} normal block at 0x0000024CC2CECBA0, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835244} normal block at 0x0000024CC2CEC740, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835233} normal block at 0x0000024CC2CED380, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835202} normal block at 0x0000024CC49ECD00, 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) : {3835189} normal block at 0x0000024CC2CBC6B0, 8 bytes long.
 Data: <  5&#195;L   > 00 00 35 C3 4C 02 00 00 
{3833987} normal block at 0x0000024CC2CBCED0, 8 bytes long.
 Data: <&#208;&#220;&#135;&#196;L   > D0 DC 87 C4 4C 02 00 00 
..\zip\boinc_zip.cpp(122) : {325} normal block at 0x0000024CC2CC3830, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{310} normal block at 0x0000024CC2CB6AD0, 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 0x0000024CC2CC8D30, 16 bytes long.
 Data: <h&#149;&#204;&#194;L           > 68 95 CC C2 4C 02 00 00 00 00 00 00 00 00 00 00 
{308} normal block at 0x0000024CC2CC80B0, 16 bytes long.
 Data: <@&#149;&#204;&#194;L           > 40 95 CC C2 4C 02 00 00 00 00 00 00 00 00 00 00 
{307} normal block at 0x0000024CC2CC19C0, 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 0x0000024CC2CC8560, 16 bytes long.
 Data: < &#149;&#204;&#194;L           > 18 95 CC C2 4C 02 00 00 00 00 00 00 00 00 00 00 
{305} normal block at 0x0000024CC2CC81F0, 16 bytes long.
 Data: <&#240;&#148;&#204;&#194;L           > F0 94 CC C2 4C 02 00 00 00 00 00 00 00 00 00 00 
{304} normal block at 0x0000024CC2CC81A0, 16 bytes long.
 Data: <&#200;&#148;&#204;&#194;L           > C8 94 CC C2 4C 02 00 00 00 00 00 00 00 00 00 00 
{303} normal block at 0x0000024CC2CC8510, 16 bytes long.
 Data: <&#160;&#148;&#204;&#194;L           > A0 94 CC C2 4C 02 00 00 00 00 00 00 00 00 00 00 
{302} normal block at 0x0000024CC2CC4860, 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 0x0000024CC2CC8650, 16 bytes long.
 Data: < &#178;&#203;&#194;L           > 18 B2 CB C2 4C 02 00 00 00 00 00 00 00 00 00 00 
{300} normal block at 0x0000024CC2CC1240, 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 0x0000024CC2CC8060, 16 bytes long.
 Data: <&#240;&#177;&#203;&#194;L           > F0 B1 CB C2 4C 02 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x0000024CC2CC8970, 16 bytes long.
 Data: <&#200;&#177;&#203;&#194;L           > C8 B1 CB C2 4C 02 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x0000024CC2CC8470, 16 bytes long.
 Data: <&#160;&#177;&#203;&#194;L           > A0 B1 CB C2 4C 02 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x0000024CC2CC8B50, 16 bytes long.
 Data: <x&#177;&#203;&#194;L           > 78 B1 CB C2 4C 02 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x0000024CC2CC8BA0, 16 bytes long.
 Data: <P&#177;&#203;&#194;L           > 50 B1 CB C2 4C 02 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x0000024CC2CC8A60, 16 bytes long.
 Data: <(&#177;&#203;&#194;L           > 28 B1 CB C2 4C 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x0000024CC2CC1B40, 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 0x0000024CC2CC8CE0, 16 bytes long.
 Data: < &#177;&#203;&#194;L           > 00 B1 CB C2 4C 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x0000024CC2CBB100, 320 bytes long.
 Data: <&#224;&#140;&#204;&#194;L   @ &#204;&#194;L   > E0 8C CC C2 4C 02 00 00 40 1B CC C2 4C 02 00 00 
{289} normal block at 0x0000024CC2CC8920, 16 bytes long.
 Data: < &#148;&#204;&#194;L           > 80 94 CC C2 4C 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x0000024CC2CC7F70, 16 bytes long.
 Data: <X&#148;&#204;&#194;L           > 58 94 CC C2 4C 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x0000024CC2CC1D20, 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 0x0000024CC2CC8A10, 16 bytes long.
 Data: <0&#148;&#204;&#194;L           > 30 94 CC C2 4C 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x0000024CC2CC1120, 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 0x0000024CC2CC8790, 16 bytes long.
 Data: <x&#147;&#204;&#194;L           > 78 93 CC C2 4C 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x0000024CC2CC8150, 16 bytes long.
 Data: <P&#147;&#204;&#194;L           > 50 93 CC C2 4C 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x0000024CC2CC8010, 16 bytes long.
 Data: <(&#147;&#204;&#194;L           > 28 93 CC C2 4C 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x0000024CC2CC8420, 16 bytes long.
 Data: < &#147;&#204;&#194;L           > 00 93 CC C2 4C 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x0000024CC2CC87E0, 16 bytes long.
 Data: <&#216;&#146;&#204;&#194;L           > D8 92 CC C2 4C 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x0000024CC2CC8830, 16 bytes long.
 Data: <&#176;&#146;&#204;&#194;L           > B0 92 CC C2 4C 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x0000024CC2CC7FC0, 16 bytes long.
 Data: <&#160;F&#204;&#194;L           > A0 46 CC C2 4C 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x0000024CC2CC46A0, 40 bytes long.
 Data: <&#192; &#204;&#194;L    &#205;&#158;&#196;L   > C0 7F CC C2 4C 02 00 00 00 CD 9E C4 4C 02 00 00 
{275} normal block at 0x0000024CC2CC8C40, 16 bytes long.
 Data: < &#146;&#204;&#194;L           > 90 92 CC C2 4C 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x0000024CC2CC8100, 16 bytes long.
 Data: <h&#146;&#204;&#194;L           > 68 92 CC C2 4C 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x0000024CC2CC11E0, 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 0x0000024CC2CC8DD0, 16 bytes long.
 Data: <@&#146;&#204;&#194;L           > 40 92 CC C2 4C 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x0000024CC2CC9240, 992 bytes long.
 Data: <&#208; &#204;&#194;L   &#224; &#204;&#194;L   > D0 8D CC C2 4C 02 00 00 E0 11 CC C2 4C 02 00 00 
{107} normal block at 0x0000024CC2CC18A0, 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 0x0000024CC2CBCE80, 16 bytes long.
 Data: <&#240;G&#204;&#194;L           > F0 47 CC C2 4C 02 00 00 00 00 00 00 00 00 00 00 
{105} normal block at 0x0000024CC2CC47F0, 40 bytes long.
 Data: < &#206;&#203;&#194;L   &#160; &#204;&#194;L   > 80 CE CB C2 4C 02 00 00 A0 18 CC C2 4C 02 00 00 
{84} normal block at 0x0000024CC2CBC8E0, 16 bytes long.
 Data: < &#234;L&#165;&#246;           > 80 EA 4C A5 F6 7F 00 00 00 00 00 00 00 00 00 00 
{83} normal block at 0x0000024CC2CBCD40, 16 bytes long.
 Data: <@&#233;L&#165;&#246;           > 40 E9 4C A5 F6 7F 00 00 00 00 00 00 00 00 00 00 
{82} normal block at 0x0000024CC2CBCDE0, 16 bytes long.
 Data: <&#248;WI&#165;&#246;           > F8 57 49 A5 F6 7F 00 00 00 00 00 00 00 00 00 00 
{81} normal block at 0x0000024CC2CBCF70, 16 bytes long.
 Data: <&#216;WI&#165;&#246;           > D8 57 49 A5 F6 7F 00 00 00 00 00 00 00 00 00 00 
{80} normal block at 0x0000024CC2CBC610, 16 bytes long.
 Data: <P I&#165;&#246;           > 50 04 49 A5 F6 7F 00 00 00 00 00 00 00 00 00 00 
{79} normal block at 0x0000024CC2CBD100, 16 bytes long.
 Data: <0 I&#165;&#246;           > 30 04 49 A5 F6 7F 00 00 00 00 00 00 00 00 00 00 
{78} normal block at 0x0000024CC2CBD1A0, 16 bytes long.
 Data: <&#224; I&#165;&#246;           > E0 02 49 A5 F6 7F 00 00 00 00 00 00 00 00 00 00 
{77} normal block at 0x0000024CC2CBC660, 16 bytes long.
 Data: <  I&#165;&#246;           > 10 04 49 A5 F6 7F 00 00 00 00 00 00 00 00 00 00 
{76} normal block at 0x0000024CC2CBC570, 16 bytes long.
 Data: <p I&#165;&#246;           > 70 04 49 A5 F6 7F 00 00 00 00 00 00 00 00 00 00 
{75} normal block at 0x0000024CC2CBD2E0, 16 bytes long.
 Data: < &#192;G&#165;&#246;           > 18 C0 47 A5 F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


©2026 Universitat Pompeu Fabra